CAS RN: 84902-97-6
CAS Name: 6-(cyclobutylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
OPENEYE Name: 2-(cyclobutylamino)tetralin-1,5,6-triol
IUPAC Name: 6-(cyclobutylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
SYSTEMATIC NAME: 6-(cyclobutylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: C1CC(C1)NC2CCC3=C(C2O)C=CC(=C3O)O
Structure:
CAS RN: 73438-62-7
CAS Name: 4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-piperidinyl)propyl]benzenecarboximidamide
OPENEYE Name: 4-[3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]benzamidine
IUPAC Name: 4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
SYSTEMATIC NAME: 4-[2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarboximidamide
MOLECULAR FORMULA: C22H28N4O3S
MOLECULAR WEIGHT: 428.54772
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3
Structure:
CAS RN: 80456-99-1
CAS Name: 4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-piperidinyl)propyl]benzenecarboximidamide
OPENEYE Name: 4-[3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]benzamidine
IUPAC Name: 4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
SYSTEMATIC NAME: 4-[2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarboximidamide
MOLECULAR FORMULA: C22H28N4O3S
MOLECULAR WEIGHT: 428.54772
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3
Structure:
CAS RN: 84877-44-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18O6
MOLECULAR WEIGHT: 318.32122
SMILES: C[C@@]12CC(=O)[C@H]3C[C@@]1(O[C@@H]([C@@H]3COC(=O)C4=CC=CC=C4)O2)O
Structure:
CAS RN: 84815-20-3
CAS Name: (2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O11
MOLECULAR WEIGHT: 356.32306
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
Structure:
CAS RN: 84803-47-4
CAS Name: (4-acetamidophenyl)methylphosphonic acid
OPENEYE Name: (4-acetamidophenyl)methylphosphonic acid
IUPAC Name: (4-acetamidophenyl)methylphosphonic acid
SYSTEMATIC NAME: (4-acetamidophenyl)methylphosphonic acid
MOLECULAR FORMULA: C9H12NO4P
MOLECULAR WEIGHT: 229.169641
SMILES: CC(=O)NC1=CC=C(C=C1)CP(=O)(O)O
Structure:
CAS RN: 847941-37-1
CAS Name: N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
IUPAC Name: ethyl N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SYSTEMATIC NAME: ethyl N-[5-azanyl-3-[[methyl(phenyl)amino]methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
MOLECULAR FORMULA: C18H22N6O2
MOLECULAR WEIGHT: 354.40628
SMILES: CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)CN(C)C3=CC=CC=C3)N
Structure:
CAS RN: 84720-63-8
CAS Name: [(2R)-2-[8-[(2R,3S)-3-octyl-2-oxiranyl]-1-oxooctoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-octadecanoyloxy-2-[8-[(2R,3S)-3-octyloxiran-2-yl]octanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-octadecanoyloxy-2-[8-[(2R,3S)-3-octyloxiran-2-yl]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-octadecanoyloxy-2-[8-[(2R,3S)-3-octyloxiran-2-yl]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H86NO9P
MOLECULAR WEIGHT: 804.128701
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC
Structure:
CAS RN: 84693-92-5
CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-azido-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R,6S)-3,4,6-triacetoxy-5-azido-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-azidooxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-azido-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H19N3O9
MOLECULAR WEIGHT: 373.31536
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
Structure:
CAS RN: 80307-12-6
CAS Name: 4-(2,5-dioxo-1-pyrrolyl)butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]butanoate
MOLECULAR FORMULA: C12H12N2O6
MOLECULAR WEIGHT: 280.23348
SMILES: C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O
Structure:
CAS RN: 80284-15-7
CAS Name: 3-tert-butyl-5-methoxybenzene-1,2-diol
OPENEYE Name: 3-tert-butyl-5-methoxy-benzene-1,2-diol
IUPAC Name: 3-tert-butyl-5-methoxybenzene-1,2-diol
SYSTEMATIC NAME: 3-tert-butyl-5-methoxy-benzene-1,2-diol
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC(C)(C)C1=CC(=CC(=C1O)O)OC
Structure:
CAS RN: 84559-07-9
CAS Name: N4-[(5,8-dimethoxy-2,4-dimethyl-6-quinolinyl)methyl]-N1,N1-diethylpentane-1,4-diamine
OPENEYE Name: N4-[(5,8-dimethoxy-2,4-dimethyl-6-quinolyl)methyl]-N1,N1-diethyl-pentane-1,4-diamine
IUPAC Name: 4-N-[(5,8-dimethoxy-2,4-dimethylquinolin-6-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
SYSTEMATIC NAME: N4-[(5,8-dimethoxy-2,4-dimethyl-quinolin-6-yl)methyl]-N1,N1-diethyl-pentane-1,4-diamine
MOLECULAR FORMULA: C23H37N3O2
MOLECULAR WEIGHT: 387.55878
SMILES: CCN(CC)CCCC(C)NCC1=CC(=C2C(=C1OC)C(=CC(=N2)C)C)OC
Structure:
CAS RN: 80189-44-2
CAS Name: 5-hydroxy-1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
OPENEYE Name: 5-hydroxy-1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
IUPAC Name: 5-hydroxy-1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C22H28N4O5
MOLECULAR WEIGHT: 428.48152
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO
Structure:
CAS RN: 80186-92-1
CAS Name: 1-[5-azido-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
OPENEYE Name: 1-[5-azido-2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethanone
IUPAC Name: 1-[5-azido-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[5-azido-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanone
MOLECULAR FORMULA: C14H20N4O3
MOLECULAR WEIGHT: 292.3336
SMILES: CC(C)NCC(COC1=C(C=C(C=C1)N=[N+]=[N-])C(=O)C)O
Structure:
CAS RN: 80186-91-0
CAS Name: acetic acid [4,5,8-triacetyloxy-6-(5,5-dimethyl-2-oxolanyl)-1-naphthalenyl] ester
OPENEYE Name: [4,5,8-triacetoxy-6-(5,5-dimethyltetrahydrofuran-2-yl)-1-naphthyl] acetate
IUPAC Name: [4,5,8-triacetyloxy-6-(5,5-dimethyloxolan-2-yl)naphthalen-1-yl] acetate
SYSTEMATIC NAME: [4,5,8-triacetyloxy-6-(5,5-dimethyloxolan-2-yl)naphthalen-1-yl] ethanoate
MOLECULAR FORMULA: C24H26O9
MOLECULAR WEIGHT: 458.45784
SMILES: CC(=O)OC1=C2C(=CC(=C(C2=C(C=C1)OC(=O)C)OC(=O)C)C3CCC(O3)(C)C)OC(=O)C
Structure:
CAS RN: 64981-70-0
CAS Name: 2-(5,5-dimethyl-2-oxolanyl)-5,8-dihydroxynaphthalene-1,4-dione
OPENEYE Name: 2-(5,5-dimethyltetrahydrofuran-2-yl)-5,8-dihydroxy-naphthalene-1,4-dione
IUPAC Name: 2-(5,5-dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione
SYSTEMATIC NAME: 2-(5,5-dimethyloxolan-2-yl)-5,8-bis(oxidanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C16H16O5
MOLECULAR WEIGHT: 288.29524
SMILES: CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C
Structure:
CAS RN: 77386-93-7
CAS Name: 2-(5,5-dimethyl-2-oxolanyl)-5,8-dihydroxynaphthalene-1,4-dione
OPENEYE Name: 2-(5,5-dimethyltetrahydrofuran-2-yl)-5,8-dihydroxy-naphthalene-1,4-dione
IUPAC Name: 2-(5,5-dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione
SYSTEMATIC NAME: 2-(5,5-dimethyloxolan-2-yl)-5,8-bis(oxidanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C16H16O5
MOLECULAR WEIGHT: 288.29524
SMILES: CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C
Structure:
CAS RN: 80186-90-9
CAS Name: 2-(5,5-dimethyl-2-oxolanyl)-5,8-dihydroxynaphthalene-1,4-dione
OPENEYE Name: 2-(5,5-dimethyltetrahydrofuran-2-yl)-5,8-dihydroxy-naphthalene-1,4-dione
IUPAC Name: 2-(5,5-dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione
SYSTEMATIC NAME: 2-(5,5-dimethyloxolan-2-yl)-5,8-bis(oxidanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C16H16O5
MOLECULAR WEIGHT: 288.29524
SMILES: CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C
Structure:
CAS RN: 80186-88-5
CAS Name: 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine
IUPAC Name: 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H22N4O4
MOLECULAR WEIGHT: 370.40238
SMILES: CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 80186-86-3
CAS Name: benzoic acid [2-benzoyloxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] ester hydrobromide
OPENEYE Name: [2-benzoyloxy-4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl] benzoate hydrobromide
IUPAC Name: [2-benzoyloxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] benzoate hydrobromide
SYSTEMATIC NAME: [4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]-2-(phenylcarbonyloxy)phenyl] benzoate hydrobromide
MOLECULAR FORMULA: C25H26BrNO5
MOLECULAR WEIGHT: 500.38164
SMILES: CC(C)NCC(C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O.Br
Structure:
CAS RN: 59893-64-0
CAS Name: 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-1,4-dioxobutyl]amino]propanimidic acid methyl ester
OPENEYE Name: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxy-propyl)amino]-4-oxo-butanoyl]amino]propanimidate
IUPAC Name: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-4-oxobutanoyl]amino]propanimidate
SYSTEMATIC NAME: methyl 3-[[4-[(3-azanylidene-3-methoxy-propyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]amino]propanimidate
MOLECULAR FORMULA: C12H22N4O6
MOLECULAR WEIGHT: 318.32628
SMILES: COC(=N)CCNC(=O)C(C(C(=O)NCCC(=N)OC)O)O
Structure:
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