CAS RN: 591-72-0
CAS Name: (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[amino(hydrazino)methylene]amino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[azanyl(diazanyl)methylidene]amino]pentanoic acid
MOLECULAR FORMULA: C6H15N5O2
MOLECULAR WEIGHT: 189.2156
SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)NN
Structure:
CAS RN: 57423-71-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H30O10
MOLECULAR WEIGHT: 526.5318
SMILES: C[C@@]12C[C@H]3[C@]4(C56[C@H]1C(=O)C(O5)([C@@H]7C[C@@H]8[C@]9(O8)CC=CC(=O)[C@@]9([C@H]7CC[C@@]6(C(=O)O4)O)C)OC[C@H]2C(=O)O3)C
Structure:
CAS RN: 57376-72-4
CAS Name: (1R,3R)-3-amino-1-cyclopentanecarboxylic acid
OPENEYE Name: (1R,3R)-3-aminocyclopentanecarboxylic acid
IUPAC Name: (1R,3R)-3-aminocyclopentane-1-carboxylic acid
SYSTEMATIC NAME: (1R,3R)-3-azanylcyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1C[C@H](C[C@@H]1C(=O)O)N
Structure:
CAS RN: 57350-36-4
CAS Name: 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-1,3,5-triazinane-2,4-dione
OPENEYE Name: 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-1,3,5-triazinane-2,4-dione
IUPAC Name: 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3,5-triazinane-2,4-dione
SYSTEMATIC NAME: 1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-1,3,5-triazinane-2,4-dione
MOLECULAR FORMULA: C9H15N3O5
MOLECULAR WEIGHT: 245.2325
SMILES: CN1CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 57629-98-8
CAS Name: benzoic acid [methyl(nitroso)amino]methyl ester
OPENEYE Name: [methyl(nitroso)amino]methyl benzoate
IUPAC Name: [methyl(nitroso)amino]methyl benzoate
SYSTEMATIC NAME: [methyl(nitroso)amino]methyl benzoate
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CN(COC(=O)C1=CC=CC=C1)N=O
Structure:
CAS RN: 5937-32-6
CAS Name: 1-(ethoxymethyl)-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-(ethoxymethyl)-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-(ethoxymethyl)-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(ethoxymethyl)-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H9FN2O3
MOLECULAR WEIGHT: 188.156363
SMILES: CCOCN1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 590-71-6
CAS Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
MOLECULAR FORMULA: C15H21N5O5S
MOLECULAR WEIGHT: 383.42274
SMILES: C1=CN(C2=C1C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
Structure:
CAS RN: 57344-98-6
CAS Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
MOLECULAR FORMULA: C15H21N5O5S
MOLECULAR WEIGHT: 383.42274
SMILES: C1=CN(C2=C1C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
Structure:
CAS RN: 57183-50-3
CAS Name: 6-methoxy-2-phenyl-1H-quinolin-4-one
OPENEYE Name: 6-methoxy-2-phenyl-1H-quinolin-4-one
IUPAC Name: 6-methoxy-2-phenyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-methoxy-2-phenyl-1H-quinolin-4-one
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=C3
Structure:
CAS RN: 57165-33-0
CAS Name: 2-hydroxy-1-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-4-pyridinone
OPENEYE Name: 2-hydroxy-1-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]pyridin-4-one
IUPAC Name: 2-hydroxy-1-[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyridin-4-one
SYSTEMATIC NAME: 1-[(3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C11H15NO6
MOLECULAR WEIGHT: 257.2399
SMILES: CO[C@@H]1[C@@H]([C@H](OC1N2C=CC(=O)C=C2O)CO)O
Structure:
CAS RN: 58764-34-4
CAS Name: 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidin-6-one
IUPAC Name: 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C9H13N3O5
MOLECULAR WEIGHT: 243.21662
SMILES: C1=C(C(=O)NC(=N1)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 59464-15-2
CAS Name: 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidin-6-one
IUPAC Name: 2-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C9H13N3O5
MOLECULAR WEIGHT: 243.21662
SMILES: C1=C(C(=O)NC(=N1)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 58763-17-0
CAS Name: (8S)-8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g][1]benzopyran-6-one
OPENEYE Name: (8S)-8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
IUPAC Name: (8S)-8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
SYSTEMATIC NAME: (8S)-8-[2,4-bis(oxidanyl)phenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-5-oxidanyl-7,8-dihydropyrano[3,2-g]chromen-6-one
MOLECULAR FORMULA: C25H26O6
MOLECULAR WEIGHT: 422.47034
SMILES: CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C[C@H](O2)C4=C(C=C(C=C4)O)O)C
Structure:
CAS RN: 56973-26-3
CAS Name: 4-hydroxy-1H-imidazole-5-carboxamide
OPENEYE Name: 4-hydroxy-1H-imidazole-5-carboxamide
IUPAC Name: 4-hydroxy-1H-imidazole-5-carboxamide
SYSTEMATIC NAME: 4-oxidanyl-1H-imidazole-5-carboxamide
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: C1=NC(=C(N1)C(=O)N)O
Structure:
CAS RN: 583-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H14O5
MOLECULAR WEIGHT: 322.31146
SMILES: C[C@]12[C@@H](CC(=O)C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O
Structure:
CAS RN: 56602-33-6
CAS Name: 1-benzotriazolyloxy-tris(dimethylamino)phosphonium
OPENEYE Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphonium
IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium
SYSTEMATIC NAME: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium
MOLECULAR FORMULA: C12H22N6OP+
MOLECULAR WEIGHT: 297.316441
SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1
Structure:
CAS RN: 2922-11-4
CAS Name: 1-oxido-2-(2-pyridinyl)-3-indol-1-iumone
OPENEYE Name: 1-oxido-2-(2-pyridyl)indol-1-ium-3-one
IUPAC Name: 1-oxido-2-pyridin-2-ylindol-1-ium-3-one
SYSTEMATIC NAME: 1-oxidanidyl-2-pyridin-2-yl-indol-1-ium-3-one
MOLECULAR FORMULA: C13H8N2O2
MOLECULAR WEIGHT: 224.21482
SMILES: C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3
Structure:
CAS RN: 56548-51-7
CAS Name: N-(4-benzo[g]quinolinyl)-N',N'-diethylethane-1,2-diamine; phosphoric acid
OPENEYE Name: N-benzo[g]quinolin-4-yl-N',N'-diethyl-ethane-1,2-diamine; phosphoric acid
IUPAC Name: N-benzo[g]quinolin-4-yl-N',N'-diethylethane-1,2-diamine; phosphoric acid
SYSTEMATIC NAME: N-benzo[g]quinolin-4-yl-N',N'-diethyl-ethane-1,2-diamine; phosphoric acid
MOLECULAR FORMULA: C19H29N3O8P2
MOLECULAR WEIGHT: 489.396382
SMILES: CCN(CC)CCNC1=CC=NC2=CC3=CC=CC=C3C=C12.OP(=O)(O)O.OP(=O)(O)O
Structure:
CAS RN: 57821-30-4
CAS Name: 1,4-dihydroimidazo[1,2-a]purin-9-one
OPENEYE Name: 1,4-dihydroimidazo[1,2-a]purin-9-one
IUPAC Name: 1,4-dihydroimidazo[1,2-a]purin-9-one
SYSTEMATIC NAME: 1,4-dihydroimidazo[1,2-a]purin-9-one
MOLECULAR FORMULA: C7H5N5O
MOLECULAR WEIGHT: 175.1475
SMILES: C1=CN2C(=O)C3=C(NC2=N1)N=CN3
Structure:
CAS RN: 5769-51-7
CAS Name: (7S,9S)-9-[(1S)-1,2-dihydroxyethyl]-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-9-[(1S)-1,2-dihydroxyethyl]-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-9-[(1S)-1,2-dihydroxyethyl]-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-9-[(1S)-1,2-bis(oxidanyl)ethyl]-4-methoxy-6,7,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C21H20O9
MOLECULAR WEIGHT: 416.3781
SMILES: COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@](C[C@@H](C4=C3O)O)([C@H](CO)O)O)O
Structure:
CAS RN: 5767-35-1
CAS Name: acetic acid [(2S)-2-[(2-benzamido-1-oxo-3-phenylpropyl)amino]-3-phenylpropyl] ester
OPENEYE Name: [(2S)-2-[(2-benzamido-3-phenyl-propanoyl)amino]-3-phenyl-propyl] acetate
IUPAC Name: [(2S)-2-[(2-benzamido-3-phenylpropanoyl)amino]-3-phenylpropyl] acetate
SYSTEMATIC NAME: [(2S)-2-[(2-benzamido-3-phenyl-propanoyl)amino]-3-phenyl-propyl] ethanoate
MOLECULAR FORMULA: C27H28N2O4
MOLECULAR WEIGHT: 444.52222
SMILES: CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 56039-11-3
CAS Name: 6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5H-imidazo[4,5-c]pyridin-4-one
OPENEYE Name: 6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
IUPAC Name: 6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
SYSTEMATIC NAME: 6-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
MOLECULAR FORMULA: C11H14N4O5
MOLECULAR WEIGHT: 282.25266
SMILES: C1=C(NC(=O)C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
Structure:
CAS RN: 5756-19-4
CAS Name: 2-nitrosopropylbenzene
OPENEYE Name: 2-nitrosopropylbenzene
IUPAC Name: 2-nitrosopropylbenzene
SYSTEMATIC NAME: 2-nitrosopropylbenzene
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC(CC1=CC=CC=C1)N=O
Structure:
CAS RN: 55890-20-5
CAS Name: (5aS,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
OPENEYE Name: (5aS,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
IUPAC Name: (5aS,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
SYSTEMATIC NAME: (5aS,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
MOLECULAR FORMULA: C21H18O7
MOLECULAR WEIGHT: 382.36342
SMILES: COC1=CC(=CC2=C1OCO2)C3[C@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O
Structure:
CAS RN: 55824-91-4
CAS Name: 4-azido-7-phenylpyrazolo[1,5-a][1,3,5]triazine
OPENEYE Name: 4-azido-7-phenyl-pyrazolo[1,5-a][1,3,5]triazine
IUPAC Name: 4-azido-7-phenylpyrazolo[1,5-a][1,3,5]triazine
SYSTEMATIC NAME: 4-azido-7-phenyl-pyrazolo[1,5-a][1,3,5]triazine
MOLECULAR FORMULA: C11H7N7
MOLECULAR WEIGHT: 237.22018
SMILES: C1=CC=C(C=C1)C2=NN3C(=C2)N=CN=C3N=[N+]=[N-]
Structure:
CAS RN: 572-89-4
CAS Name: 5-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]amino]-5-oxopentanoic acid
OPENEYE Name: 5-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]-5-oxo-pentanoic acid
IUPAC Name: 5-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[1-[(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C14H19N3O8
MOLECULAR WEIGHT: 357.31596
SMILES: C1=CN(C(=O)N=C1NC(=O)CCCC(=O)O)C2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 55661-42-2
CAS Name: N-(2-chloroethyl)carbamic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) N-(2-chloroethyl)carbamate
IUPAC Name: (4-nitrophenyl) N-(2-chloroethyl)carbamate
SYSTEMATIC NAME: (4-nitrophenyl) N-(2-chloroethyl)carbamate
MOLECULAR FORMULA: C9H9ClN2O4
MOLECULAR WEIGHT: 244.63176
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NCCCl
Structure:
CAS RN: 55612-66-3
CAS Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,5R)-4-[[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,5-trihydroxy-6-oxohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,5R)-4-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,5-trihydroxy-6-oxo-hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,5R)-4-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5-trihydroxy-6-oxohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,5R)-4-[(3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3,5-tris(oxidanyl)-6-oxidanylidene-hexoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C22H38N2O16
MOLECULAR WEIGHT: 586.54092
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@H]([C@@H](C([C@H](C=O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)CO)O)O
Structure:
CAS RN: 55612-21-0
CAS Name: 1-[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione
OPENEYE Name: 1-[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
IUPAC Name: 1-[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3R,4R,5R)-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10FIN2O5
MOLECULAR WEIGHT: 372.088973
SMILES: C1=C(C(=O)NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)CO)O)F)I
Structure:
CAS RN: 55612-19-6
CAS Name: 5-bromo-1-[(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-bromo-1-[(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-bromo-1-[(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-1-[(3R,4R,5R)-3-chloranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10BrClN2O5
MOLECULAR WEIGHT: 341.5431
SMILES: C1=C(C(=O)NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)CO)O)Cl)Br
Structure:
CAS RN: 55612-18-5
CAS Name: 5-bromo-1-[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-bromo-1-[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-bromo-1-[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-1-[(3R,4R,5R)-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10BrFN2O5
MOLECULAR WEIGHT: 325.088503
SMILES: C1=C(C(=O)NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)CO)O)F)Br
Structure:
CAS RN: 55553-54-3
CAS Name: N-(1-phenylethyl)-7H-purin-6-amine
OPENEYE Name: N-(1-phenylethyl)-7H-purin-6-amine
IUPAC Name: N-(1-phenylethyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-(1-phenylethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C13H13N5
MOLECULAR WEIGHT: 239.27582
SMILES: CC(C1=CC=CC=C1)NC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 55543-68-5
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methylphenoxy)acetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methylphenoxy)acetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methylphenoxy)acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methylphenoxy)ethanoic acid
MOLECULAR FORMULA: C15H25NO6
MOLECULAR WEIGHT: 315.3621
SMILES: CC1=CC=CC=C1OCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 126543-39-3
CAS Name: 2-methylseleninyl-N-phenylbenzamide
OPENEYE Name: 2-methylseleninyl-N-phenyl-benzamide
IUPAC Name: 2-methylseleninyl-N-phenylbenzamide
SYSTEMATIC NAME: 2-methylseleninyl-N-phenyl-benzamide
MOLECULAR FORMULA: C14H13NO2Se
MOLECULAR WEIGHT: 306.21852
SMILES: C[Se](=O)C1=CC=CC=C1C(=O)NC2=CC=CC=C2
Structure:
CAS RN: 126416-85-1
CAS Name: 1-[(1S,3aR,9bR)-3a-(phenylmethyl)-2,4,5,9b-tetrahydro-1H-benzo[e]benzofuran-1-yl]-N,N-dimethylmethanamine
OPENEYE Name: 1-[(1S,3aR,9bR)-3a-benzyl-2,4,5,9b-tetrahydro-1H-benzo[e]benzofuran-1-yl]-N,N-dimethyl-methanamine
IUPAC Name: 1-[(1S,3aR,9bR)-3a-benzyl-2,4,5,9b-tetrahydro-1H-benzo[e][1]benzofuran-1-yl]-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-[(1S,3aR,9bR)-3a-(phenylmethyl)-2,4,5,9b-tetrahydro-1H-benzo[e][1]benzofuran-1-yl]-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C22H27NO
MOLECULAR WEIGHT: 321.45588
SMILES: CN(C)C[C@H]1CO[C@@]2([C@H]1C3=CC=CC=C3CC2)CC4=CC=CC=C4
Structure:
CAS RN: 126415-01-8
CAS Name: 2-methyl-2-propenoic acid 2-[4-[2-[4-[1-(2-methyl-1-oxoprop-2-enoxy)propan-2-yloxy]phenyl]propan-2-yl]phenoxy]propyl ester
OPENEYE Name: 2-[4-[1-methyl-1-[4-[1-methyl-2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]ethyl]phenoxy]propyl 2-methylprop-2-enoate
IUPAC Name: 2-[4-[2-[4-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phenyl]propan-2-yl]phenoxy]propyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[4-[2-[4-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phenyl]propan-2-yl]phenoxy]propyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C29H36O6
MOLECULAR WEIGHT: 480.59254
SMILES: CC(COC(=O)C(=C)C)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(C)COC(=O)C(=C)C
Structure:
CAS RN: 126395-22-0
CAS Name: 2,4,6-trihydroxy-3-nitro-N-octylbenzamide
OPENEYE Name: 2,4,6-trihydroxy-3-nitro-N-octyl-benzamide
IUPAC Name: 2,4,6-trihydroxy-3-nitro-N-octylbenzamide
SYSTEMATIC NAME: 3-nitro-N-octyl-2,4,6-tris(oxidanyl)benzamide
MOLECULAR FORMULA: C15H22N2O6
MOLECULAR WEIGHT: 326.34498
SMILES: CCCCCCCCNC(=O)C1=C(C(=C(C=C1O)O)[N+](=O)[O-])O
Structure:
CAS RN: 126347-59-9
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-hydroxy-3-nitro-4-pyridinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-hydroxy-3-nitro-pyridin-4-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxy-3-nitropyridin-4-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-nitro-2-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C10H12N2O8
MOLECULAR WEIGHT: 288.21088
SMILES: C1=CN(C(=C(C1=O)[N+](=O)[O-])O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
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