CAS RN: 115230-76-7
CAS Name: 7-methoxy-3-(7-methoxy-2-oxo-1-benzopyran-3-yl)-1-benzopyran-2-one
OPENEYE Name: 7-methoxy-3-(7-methoxy-2-oxo-chromen-3-yl)chromen-2-one
IUPAC Name: 7-methoxy-3-(7-methoxy-2-oxochromen-3-yl)chromen-2-one
SYSTEMATIC NAME: 7-methoxy-3-(7-methoxy-2-oxidanylidene-chromen-3-yl)chromen-2-one
MOLECULAR FORMULA: C20H14O6
MOLECULAR WEIGHT: 350.32156
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C=C(C=C4)OC)OC3=O
CAS RN: 164932-83-6
CAS Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydrazinyl-5-pyrrolo[2,3-d]pyrimidinecarboxamide hydrochloride
OPENEYE Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydrazino-pyrrolo[2,3-d]pyrimidine-5-carboxamide hydrochloride
IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydrazinylpyrrolo[2,3-d]pyrimidine-5-carboxamide hydrochloride
SYSTEMATIC NAME: 4-azanyl-6-diazanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide hydrochloride
MOLECULAR FORMULA: C12H18ClN7O5
MOLECULAR WEIGHT: 375.76822
SMILES: C1=NC2=C(C(=C(N2C3C(C(C(O3)CO)O)O)NN)C(=O)N)C(=N1)N.Cl
CAS RN: 37782-88-0
CAS Name: 2-(6-aminopurin-9-yl)-2,3-dihydrofuran-5-carboxylic acid methyl ester
OPENEYE Name: methyl 2-(6-aminopurin-9-yl)-2,3-dihydrofuran-5-carboxylate
IUPAC Name: methyl 2-(6-aminopurin-9-yl)-2,3-dihydrofuran-5-carboxylate
SYSTEMATIC NAME: methyl 2-(6-aminopurin-9-yl)-2,3-dihydrofuran-5-carboxylate
MOLECULAR FORMULA: C11H11N5O3
MOLECULAR WEIGHT: 261.23674
SMILES: COC(=O)C1=CCC(O1)N2C=NC3=C2N=CN=C3N
CAS RN: 29617-89-8
CAS Name: 2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,3-dihydrofuran-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
IUPAC Name: ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,3-dihydrofuran-5-carboxylate
MOLECULAR FORMULA: C12H14N2O5
MOLECULAR WEIGHT: 266.24996
SMILES: CCOC(=O)C1=CCC(O1)N2C=C(C(=O)NC2=O)C
CAS RN: 37781-56-9
CAS Name: 2-(2,4-dioxo-1-pyrimidinyl)-2,3-dihydrofuran-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
IUPAC Name: ethyl 2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,3-dihydrofuran-5-carboxylate
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: CCOC(=O)C1=CCC(O1)N2C=CC(=O)NC2=O
CAS RN: 29617-90-1
CAS Name: 1-[5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
OPENEYE Name: 1-[5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1C=C(OC1N2C=CC(=O)NC2=O)CO
CAS RN: 172412-65-6
CAS Name: 4-[[[(5-carboxy-1-methyl-3-pyrrolyl)amino]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid
OPENEYE Name: 4-[(5-carboxy-1-methyl-pyrrol-3-yl)carbamoylamino]-1-methyl-pyrrole-2-carboxylic acid
IUPAC Name: 4-[(5-carboxy-1-methylpyrrol-3-yl)carbamoylamino]-1-methylpyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-[(5-carboxy-1-methyl-pyrrol-3-yl)carbamoylamino]-1-methyl-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C13H14N4O5
MOLECULAR WEIGHT: 306.27406
SMILES: CN1C=C(C=C1C(=O)O)NC(=O)NC2=CN(C(=C2)C(=O)O)C
CAS RN: 198765-21-8
CAS Name: 5-[[[(5-carboxy-1-methyl-3-pyrazolyl)amino]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxylic acid
OPENEYE Name: 5-[(5-carboxy-1-methyl-pyrazol-3-yl)carbamoylamino]-2-methyl-pyrazole-3-carboxylic acid
IUPAC Name: 5-[(5-carboxy-1-methylpyrazol-3-yl)carbamoylamino]-2-methylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-[(5-carboxy-1-methyl-pyrazol-3-yl)carbamoylamino]-2-methyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C11H12N6O5
MOLECULAR WEIGHT: 308.25018
SMILES: CN1C(=CC(=N1)NC(=O)NC2=NN(C(=C2)C(=O)O)C)C(=O)O
CAS RN: 106175-19-3
CAS Name: (1R,2S,3R,5S)-3-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-methylcyclopentane-1,2-diol hydrochloride
OPENEYE Name: (1R,2S,3R,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methyl-cyclopentane-1,2-diol hydrochloride
IUPAC Name: (1R,2S,3R,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol hydrochloride
SYSTEMATIC NAME: (1R,2S,3R,5S)-3-(4-azanylimidazo[4,5-c]pyridin-1-yl)-5-methyl-cyclopentane-1,2-diol hydrochloride
MOLECULAR FORMULA: C12H17ClN4O2
MOLECULAR WEIGHT: 284.74198
SMILES: C[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2C=CN=C3N.Cl
CAS RN: 58476-28-1
CAS Name: 2-chloro-8-ethoxyphenazine
OPENEYE Name: 2-chloro-8-ethoxy-phenazine
IUPAC Name: 2-chloro-8-ethoxyphenazine
SYSTEMATIC NAME: 2-chloranyl-8-ethoxy-phenazine
MOLECULAR FORMULA: C14H11ClN2O
MOLECULAR WEIGHT: 258.70294
SMILES: CCOC1=CC2=C(C=C1)N=C3C=CC(=CC3=N2)Cl
CAS RN: 65862-20-6
CAS Name: 2-hydroxy-4-[(2Z)-2-(4-hydroxy-3-methyl-2-oxo-1-naphthalenylidene)hydrazinyl]benzoic acid
OPENEYE Name: 2-hydroxy-4-[(2Z)-2-(4-hydroxy-3-methyl-2-oxo-1-naphthylidene)hydrazino]benzoic acid
IUPAC Name: 2-hydroxy-4-[(2Z)-2-(4-hydroxy-3-methyl-2-oxonaphthalen-1-ylidene)hydrazinyl]benzoic acid
SYSTEMATIC NAME: 4-[(2Z)-2-(3-methyl-4-oxidanyl-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C18H14N2O5
MOLECULAR WEIGHT: 338.31416
SMILES: CC1=C(C2=CC=CC=C2/C(=N/NC3=CC(=C(C=C3)C(=O)O)O)/C1=O)O
CAS RN: 114438-32-3
CAS Name: 4-(hydroxyamino)-N-(2-pyrimidinyl)benzenesulfonamide
OPENEYE Name: 4-(hydroxyamino)-N-pyrimidin-2-yl-benzenesulfonamide
IUPAC Name: 4-(hydroxyamino)-N-pyrimidin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: 4-(oxidanylamino)-N-pyrimidin-2-yl-benzenesulfonamide
MOLECULAR FORMULA: C10H10N4O3S
MOLECULAR WEIGHT: 266.2764
SMILES: C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NO
CAS RN: 103196-86-7
CAS Name: 2,3,5-trimethyl-6-[phenyl-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3,5-trimethyl-6-[phenyl-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]-1,4-benzoquinone
IUPAC Name: 2,3,5-trimethyl-6-[phenyl-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3,5-trimethyl-6-[phenyl-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C25H24O4
MOLECULAR WEIGHT: 388.45566
SMILES: CC1=C(C(=O)C(=C(C1=O)C)C(C2=CC=CC=C2)C3=C(C(=O)C(=C(C3=O)C)C)C)C
CAS RN: 17089-17-7
CAS Name: 3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-[3-[4-(1-propylbutoxy)phenyl]propyl]naphthalene-1,2-dione
IUPAC Name: 3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-[3-(4-heptan-4-yloxyphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C26H30O4
MOLECULAR WEIGHT: 406.514
SMILES: CCCC(CCC)OC1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O
CAS RN: 17089-15-5
CAS Name: 3-[3-(4-cyclopentylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 3-[3-(4-cyclopentylphenyl)propyl]-4-hydroxy-naphthalene-1,2-dione
IUPAC Name: 3-[3-(4-cyclopentylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-[3-(4-cyclopentylphenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C24H24O3
MOLECULAR WEIGHT: 360.44556
SMILES: C1CCC(C1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O
CAS RN: 106060-92-8
CAS Name: ammonia; [[3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: ammonia; [[3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: azane; [[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: azane; [[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H19N6O13P3
MOLECULAR WEIGHT: 524.211543
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-].N
CAS RN: 29706-87-4
CAS Name: sodium [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: sodium [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: sodium [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: sodium [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H14N5NaO7P+
MOLECULAR WEIGHT: 370.210991
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-].[Na+]
CAS RN: 861224-28-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxopr
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-phenyl
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-phenylpro
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-
MOLECULAR FORMULA: C41H64N12O12S
MOLECULAR WEIGHT: 949.08506
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)O)C(C)(C)C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCN)N
CAS RN: 546114-44-7
CAS Name: 4,10-dihydroxy-3,9-dimethoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]benzo[c][1,5]benzodioxocin-6,12-dione
OPENEYE Name: 4,10-dihydroxy-3,9-dimethoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]benzo[c][1,5]benzodioxocine-6,12-dione
IUPAC Name: 4,10-dihydroxy-3,9-dimethoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzo[c][1,5]benzodioxocine-6,12-dione
SYSTEMATIC NAME: 2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-8-[(3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,9-dimethoxy-4,10-bis(oxidanyl)benzo[c][1,5]benzodioxocine-6,12-dione
MOLECULAR FORMULA: C28H32O18
MOLECULAR WEIGHT: 656.54288
SMILES: COC1=C(C=C2C(=C1O)OC(=O)C3=CC(=C(C(=C3OC2=O)O)OC)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
CAS RN: 135966-86-8
CAS Name: potassium; benzene-1,2-diolate; titanium(4+)
OPENEYE Name: potassium; benzene-1,2-diolate; titanium(4+)
IUPAC Name: potassium; benzene-1,2-diolate; titanium(4+)
SYSTEMATIC NAME: potassium; benzene-1,2-diolate; titanium(4+)
MOLECULAR FORMULA: C18H12KO6Ti-
MOLECULAR WEIGHT: 411.24958
SMILES: C1=CC=C(C(=C1)[O-])[O-].C1=CC=C(C(=C1)[O-])[O-].C1=CC=C(C(=C1)[O-])[O-].[K+].[Ti+4]
CAS RN: 152273-82-0
CAS Name: propanoic acid [(2R,3S,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] ester
OPENEYE Name: [(1S,2R)-1-[(1R)-1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-2-methyl-3-oxo-pentyl] propanoate
IUPAC Name: [(2R,3S,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] propanoate
SYSTEMATIC NAME: [(2R,3S,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxidanylidene-2,3-dihydropyran-2-yl]-4-methyl-5-oxidanylidene-heptan-3-yl] propanoate
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CCC1=C(C(=O)[C@@H]([C@H](O1)[C@@H](C)[C@@H]([C@@H](C)C(=O)CC)OC(=O)CC)C)C
CAS RN: 152273-81-9
CAS Name: (2R)-2-methylbutanoic acid [(2R,3S,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] ester
OPENEYE Name: [(1S,2R)-1-[(1R)-1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-2-methyl-3-oxo-pentyl] (2R)-2-methylbutanoate
IUPAC Name: [(2R,3S,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] (2R)-2-methylbutanoate
SYSTEMATIC NAME: [(2R,3S,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxidanylidene-2,3-dihydropyran-2-yl]-4-methyl-5-oxidanylidene-heptan-3-yl] (2R)-2-methylbutanoate
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCC1=C(C(=O)[C@@H]([C@H](O1)[C@@H](C)[C@@H]([C@@H](C)C(=O)CC)OC(=O)[C@H](C)CC)C)C
CAS RN: 20390-01-6
CAS Name: 3,8-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran
OPENEYE Name: 3,8-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene
IUPAC Name: 3,8-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SYSTEMATIC NAME: 3,8-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: COC1=CC2=C(C=C1)OC3C2COC4=C3C=CC(=C4)OC
CAS RN: 773892-09-4
CAS Name: 6-methoxy-2-pyridin-4-yl-1H-benzimidazole-4,7-dione
OPENEYE Name: 6-methoxy-2-(4-pyridyl)-1H-benzimidazole-4,7-dione
IUPAC Name: 6-methoxy-2-pyridin-4-yl-1H-benzimidazole-4,7-dione
SYSTEMATIC NAME: 6-methoxy-2-pyridin-4-yl-1H-benzimidazole-4,7-dione
MOLECULAR FORMULA: C13H9N3O3
MOLECULAR WEIGHT: 255.22886
SMILES: COC1=CC(=O)C2=C(C1=O)NC(=N2)C3=CC=NC=C3
CAS RN: 773892-07-2
CAS Name: 6-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4,7-dione
OPENEYE Name: 6-methoxy-2-(6-methyl-2-pyridyl)-1H-benzimidazole-4,7-dione
IUPAC Name: 6-methoxy-2-(6-methylpyridin-2-yl)-1H-benzimidazole-4,7-dione
SYSTEMATIC NAME: 6-methoxy-2-(6-methylpyridin-2-yl)-1H-benzimidazole-4,7-dione
MOLECULAR FORMULA: C14H11N3O3
MOLECULAR WEIGHT: 269.25544
SMILES: CC1=CC=CC(=N1)C2=NC3=C(N2)C(=O)C(=CC3=O)OC
CAS RN: 76076-04-5
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-4-[[(2S,3R,4R,5S,6S)-4-[[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] es
OPENEYE Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydrox
IUPAC Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-4-[(3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2
MOLECULAR FORMULA: C34H44O19
MOLECULAR WEIGHT: 756.70176
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)OC5[C@@H]([C@](CO5)(CO)O)O)O
CAS RN: 83529-63-9
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2
IUPAC Name: [(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C36H48O19
MOLECULAR WEIGHT: 784.75492
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
CAS RN: 142674-76-8
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl
IUPAC Name: [(2R,3R,4R,5R,6R)-2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C35H46O19
MOLECULAR WEIGHT: 770.72834
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
CAS RN: 64597-22-4
CAS Name: (4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (4aR,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-4a,7-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C26H32O14
MOLECULAR WEIGHT: 568.52388
SMILES: C[C@@]1([C@H](C[C@]2([C@@H]1C(OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O
CAS RN: 98619-24-0
CAS Name: (1S,4aR,6S,7S)-4a,6-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aR,6S,7S)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (1S,4aR,6S,7S)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aR,6S,7S)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,6-bis(oxidanyl)-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C17H26O11
MOLECULAR WEIGHT: 406.38174
SMILES: C[C@@H]1[C@H](C[C@]2(C1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
CAS RN: 915303-04-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H22ClN3O6
MOLECULAR WEIGHT: 495.91168
SMILES: COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OC.Cl
CAS RN: 11077-03-5
CAS Name: (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R)-10-[(2S,4R,5S,6R)-6-[4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[6-[2-[(2R,3R,5S)-5
OPENEYE Name: (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R)-10-[(2S,4R,5S,6R)-6-[4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[6-[2-[(2R,3R,5S)-5
IUPAC Name: (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R)-10-[(2S,4R,5S,6R)-6-[4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[6-[2-[(2R,3R,5S)-5
SYSTEMATIC NAME: (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R)-10-[(2S,4R,5S,6R)-6-[4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[6-[2-[(2R,3R,5S)-5
MOLECULAR FORMULA: C129H223N3O54
MOLECULAR WEIGHT: 2680.13862
SMILES: CC1CC2(C(OC(C1)(O2)CCCCCCC[C@@H](C[C@@H]3[C@@H]([C@H]([C@H]([C@@](O3)(C[C@@H]([C@@H](C)/C=C/[C@H](CC[C@H](C([C@@H]4C[C@H]([C@@H]([C@H](O4)CC(C(C[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C[C@@H](/C=C\C=C\C[C@H]([C@@H]([C@@H](C/C=C\C(=C)CC[C@@H]([C@H]([C@@H]([C@H
CAS RN: 916423-55-7
CAS Name: 3-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
OPENEYE Name: 3-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 3-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SYSTEMATIC NAME: 3-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
MOLECULAR FORMULA: C12H12BrN3
MOLECULAR WEIGHT: 278.14778
SMILES: C1CNCC2=C1NN=C2C3=CC(=CC=C3)Br
CAS RN: 916423-54-6
CAS Name: 3-(2-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
OPENEYE Name: 3-(2-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 3-(2-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SYSTEMATIC NAME: 3-(2-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
MOLECULAR FORMULA: C12H12BrN3
MOLECULAR WEIGHT: 278.14778
SMILES: C1CNCC2=C1NN=C2C3=CC=CC=C3Br
CAS RN: 43047-20-7
CAS Name: 6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
OPENEYE Name: 6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
IUPAC Name: 6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
SYSTEMATIC NAME: 6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
MOLECULAR FORMULA: C21H20INO6
MOLECULAR WEIGHT: 509.29107
SMILES: C[N+]1(CCC2=CC3=C(C=C2[C@H]1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
CAS RN: 4360-12-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC[C@H]1[C@@H]2CC3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C
CAS RN: 313995-40-3
CAS Name: (2R)-2-amino-3-buten-1-ol hydrochloride
OPENEYE Name: (2R)-2-aminobut-3-en-1-ol hydrochloride
IUPAC Name: (2R)-2-aminobut-3-en-1-ol hydrochloride
SYSTEMATIC NAME: (2R)-2-azanylbut-3-en-1-ol hydrochloride
MOLECULAR FORMULA: C4H10ClNO
MOLECULAR WEIGHT: 123.5813
SMILES: C=C[C@H](CO)N.Cl
CAS RN: 114715-39-8
CAS Name: (3R)-1-(phenylmethyl)-3-pyrrolidinamine hydrochloride
OPENEYE Name: (3R)-1-benzylpyrrolidin-3-amine hydrochloride
IUPAC Name: (3R)-1-benzylpyrrolidin-3-amine hydrochloride
SYSTEMATIC NAME: (3R)-1-(phenylmethyl)pyrrolidin-3-amine hydrochloride
MOLECULAR FORMULA: C11H17ClN2
MOLECULAR WEIGHT: 212.71908
SMILES: C1CN(C[C@@H]1N)CC2=CC=CC=C2.Cl
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