CAS RN: 263-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: C1OC2=CC=CC=C2OCOC3=CC=CC=C3O1
Structure:
CAS RN: 1530-48-9
CAS Name: 1-(9-propyl-9H-fluoren-2-yl)ethanone
OPENEYE Name: 1-(9-propyl-9H-fluoren-2-yl)ethanone
IUPAC Name: 1-(9-propyl-9H-fluoren-2-yl)ethanone
SYSTEMATIC NAME: 1-(9-propyl-9H-fluoren-2-yl)ethanone
MOLECULAR FORMULA: C18H18O
MOLECULAR WEIGHT: 250.33492
SMILES: CCCC1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C
Structure:
CAS RN: 36014-40-1
CAS Name: (2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone
OPENEYE Name: (2,3-dihydroxy-4-methoxy-phenyl)-phenyl-methanone
IUPAC Name: (2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone
SYSTEMATIC NAME: [4-methoxy-2,3-bis(oxidanyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)O)O
Structure:
CAS RN: 1745-06-8
CAS Name: 5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: 5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: COC1=C(C(=C2CCNCC2=C1)OC)OC
Structure:
CAS RN: 884-18-4
CAS Name: 3-(1,3-benzodioxol-5-yl)-2-oxopropanoic acid
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)-2-oxo-propanoic acid
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-oxopropanoic acid
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-2-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C10H8O5
MOLECULAR WEIGHT: 208.16752
SMILES: C1OC2=C(O1)C=C(C=C2)CC(=O)C(=O)O
Structure:
CAS RN: 16607-58-2
CAS Name: 3-(dimethylamino)-4,6-diphenyl-1H-pyridin-2-one
OPENEYE Name: 3-(dimethylamino)-4,6-diphenyl-1H-pyridin-2-one
IUPAC Name: 3-(dimethylamino)-4,6-diphenyl-1H-pyridin-2-one
SYSTEMATIC NAME: 3-(dimethylamino)-4,6-diphenyl-1H-pyridin-2-one
MOLECULAR FORMULA: C19H18N2O
MOLECULAR WEIGHT: 290.35902
SMILES: CN(C)C1=C(C=C(NC1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 16607-18-4
CAS Name: 3-(dimethylamino)-4-(4-methoxyphenyl)-6-phenyl-1H-pyridin-2-one
OPENEYE Name: 3-(dimethylamino)-4-(4-methoxyphenyl)-6-phenyl-1H-pyridin-2-one
IUPAC Name: 3-(dimethylamino)-4-(4-methoxyphenyl)-6-phenyl-1H-pyridin-2-one
SYSTEMATIC NAME: 3-(dimethylamino)-4-(4-methoxyphenyl)-6-phenyl-1H-pyridin-2-one
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: CN(C)C1=C(C=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC
Structure:
CAS RN: 16607-19-5
CAS Name: 4-(4-chlorophenyl)-3-(dimethylamino)-6-phenyl-1H-pyridin-2-one
OPENEYE Name: 4-(4-chlorophenyl)-3-(dimethylamino)-6-phenyl-1H-pyridin-2-one
IUPAC Name: 4-(4-chlorophenyl)-3-(dimethylamino)-6-phenyl-1H-pyridin-2-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-(dimethylamino)-6-phenyl-1H-pyridin-2-one
MOLECULAR FORMULA: C19H17ClN2O
MOLECULAR WEIGHT: 324.80408
SMILES: CN(C)C1=C(C=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 2449-35-6
CAS Name: 1-(2,4,6-trihydroxyphenyl)-1-butanone
OPENEYE Name: 1-(2,4,6-trihydroxyphenyl)butan-1-one
IUPAC Name: 1-(2,4,6-trihydroxyphenyl)butan-1-one
SYSTEMATIC NAME: 1-[2,4,6-tris(oxidanyl)phenyl]butan-1-one
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CCCC(=O)C1=C(C=C(C=C1O)O)O
Structure:
CAS RN: 4774-40-7
CAS Name: 1-(2,5-dihydroxyphenyl)-1-pentanone
OPENEYE Name: 1-(2,5-dihydroxyphenyl)pentan-1-one
IUPAC Name: 1-(2,5-dihydroxyphenyl)pentan-1-one
SYSTEMATIC NAME: 1-[2,5-bis(oxidanyl)phenyl]pentan-1-one
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCCCC(=O)C1=C(C=CC(=C1)O)O
Structure:
CAS RN: 18771-50-1
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-hydroxy-1,3-diazinan-2-one
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-hexahydropyrimidin-2-one
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-oxidanyl-1,3-diazinan-2-one
MOLECULAR FORMULA: C9H16N2O6
MOLECULAR WEIGHT: 248.23314
SMILES: C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 984-46-3
CAS Name: acetic acid (17-acetyl-6-hydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (17-acetyl-6-hydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (17-acetyl-6-hydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (17-ethanoyl-6,10,13-trimethyl-6-oxidanyl-3-oxidanylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: CC(=O)C1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)(C)O)C)OC(=O)C
Structure:
CAS RN: 43215-22-1
CAS Name: methanesulfonic acid (1-acetyl-2-benzimidazolyl)methyl ester
OPENEYE Name: (1-acetylbenzimidazol-2-yl)methyl methanesulfonate
IUPAC Name: (1-acetylbenzimidazol-2-yl)methyl methanesulfonate
SYSTEMATIC NAME: (1-ethanoylbenzimidazol-2-yl)methyl methanesulfonate
MOLECULAR FORMULA: C11H12N2O4S
MOLECULAR WEIGHT: 268.28898
SMILES: CC(=O)N1C2=CC=CC=C2N=C1COS(=O)(=O)C
Structure:
CAS RN: 2199-58-8
CAS Name: 3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
OPENEYE Name: 3,5-dimethyl-1H-pyrrole-2-carbaldehyde
IUPAC Name: 3,5-dimethyl-1H-pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 3,5-dimethyl-1H-pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=CC(=C(N1)C=O)C
Structure:
CAS RN: 50447-01-3
CAS Name: methanesulfonic acid (4,5-dihydroxy-2-methoxy-3-oxanyl) ester
OPENEYE Name: (4,5-dihydroxy-2-methoxy-tetrahydropyran-3-yl) methanesulfonate
IUPAC Name: (4,5-dihydroxy-2-methoxyoxan-3-yl) methanesulfonate
SYSTEMATIC NAME: [2-methoxy-4,5-bis(oxidanyl)oxan-3-yl] methanesulfonate
MOLECULAR FORMULA: C7H14O7S
MOLECULAR WEIGHT: 242.24686
SMILES: COC1C(C(C(CO1)O)O)OS(=O)(=O)C
Structure:
CAS RN: 75627-29-1
CAS Name: 4-[1-(benzenesulfonyl)ethyl]-1,2-dimethoxybenzene
OPENEYE Name: 4-[1-(benzenesulfonyl)ethyl]-1,2-dimethoxy-benzene
IUPAC Name: 4-[1-(benzenesulfonyl)ethyl]-1,2-dimethoxybenzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[1-(phenylsulfonyl)ethyl]benzene
MOLECULAR FORMULA: C16H18O4S
MOLECULAR WEIGHT: 306.37672
SMILES: CC(C1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 1835-02-5
CAS Name: 2-bromo-1-(3,4-dimethoxyphenyl)ethanone
OPENEYE Name: 2-bromo-1-(3,4-dimethoxyphenyl)ethanone
IUPAC Name: 2-bromo-1-(3,4-dimethoxyphenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(3,4-dimethoxyphenyl)ethanone
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: COC1=C(C=C(C=C1)C(=O)CBr)OC
Structure:
CAS RN: 57279-70-6
CAS Name: 4-(3-hydroxyphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(3-hydroxyphenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(3-hydroxyphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(3-hydroxyphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1=CC(=CC(=C1)O)C(=O)CCC(=O)O
Structure:
CAS RN: 16077-70-6
CAS Name: N-[[[bis[[(ethoxycarbonylhydrazo)-oxomethyl]amino]phosphorylamino]-oxomethyl]amino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[bis[(ethoxycarbonylamino)carbamoylamino]phosphorylcarbamoylamino]carbamate
IUPAC Name: ethyl N-[bis[(ethoxycarbonylamino)carbamoylamino]phosphorylcarbamoylamino]carbamate
SYSTEMATIC NAME: ethyl N-[bis[(ethoxycarbonylamino)carbamoylamino]phosphorylcarbamoylamino]carbamate
MOLECULAR FORMULA: C12H24N9O10P
MOLECULAR WEIGHT: 485.347021
SMILES: CCOC(=O)NNC(=O)NP(=O)(NC(=O)NNC(=O)OCC)NC(=O)NNC(=O)OCC
Structure:
CAS RN: 76765-28-1
CAS Name: 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydroperylene
OPENEYE Name: 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydroperylene
IUPAC Name: 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydroperylene
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydroperylene
MOLECULAR FORMULA: C20H26
MOLECULAR WEIGHT: 266.42044
SMILES: C1CC2CCCC3=C2C(=C4CCCC5C4=C3CCC5)C1
Structure:
CAS RN: 2604-85-5
CAS Name: 1,1-dibutyl-3-phenylurea
OPENEYE Name: 1,1-dibutyl-3-phenyl-urea
IUPAC Name: 1,1-dibutyl-3-phenylurea
SYSTEMATIC NAME: 1,1-dibutyl-3-phenyl-urea
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: CCCCN(CCCC)C(=O)NC1=CC=CC=C1
Structure:
CAS RN: 5254-92-2
CAS Name: 2-(1-naphthalenylmethylthio)acetic acid
OPENEYE Name: 2-(1-naphthylmethylsulfanyl)acetic acid
IUPAC Name: 2-(naphthalen-1-ylmethylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-(naphthalen-1-ylmethylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C13H12O2S
MOLECULAR WEIGHT: 232.29818
SMILES: C1=CC=C2C(=C1)C=CC=C2CSCC(=O)O
Structure:
CAS RN: 20570-20-1
CAS Name: 1,2,3,4-tetrahydrocyclopenta[b]indole
OPENEYE Name: 1,2,3,4-tetrahydrocyclopenta[b]indole
IUPAC Name: 1,2,3,4-tetrahydrocyclopenta[b]indole
SYSTEMATIC NAME: 1,2,3,4-tetrahydrocyclopenta[b]indole
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: C1CC2=C(C1)NC3=CC=CC=C23
Structure:
CAS RN: 13228-40-5
CAS Name: 2-(2-pyridinyl)-1H-indole
OPENEYE Name: 2-(2-pyridyl)-1H-indole
IUPAC Name: 2-pyridin-2-yl-1H-indole
SYSTEMATIC NAME: 2-pyridin-2-yl-1H-indole
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC=C2C(=C1)C=C(N2)C3=CC=CC=N3
Structure:
CAS RN: 38453-62-2
CAS Name: 5-(diaminomethylideneamino)-2-[(triphenylmethyl)amino]pentanoic acid
OPENEYE Name: 5-guanidino-2-(tritylamino)pentanoic acid
IUPAC Name: 5-(diaminomethylideneamino)-2-(tritylamino)pentanoic acid
SYSTEMATIC NAME: 5-[bis(azanyl)methylideneamino]-2-[(triphenylmethyl)amino]pentanoic acid
MOLECULAR FORMULA: C25H28N4O2
MOLECULAR WEIGHT: 416.51542
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 13969-10-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: CC1=C2CC3=C(C=CC4=CC=CC=C34)OC2=NC(=N1)C
Structure:
CAS RN: 14304-66-6
CAS Name: 5-[(2-hydroxyphenyl)methyl]-2-methyl-6-phenyl-1H-pyrimidin-4-one
OPENEYE Name: 5-[(2-hydroxyphenyl)methyl]-2-methyl-6-phenyl-1H-pyrimidin-4-one
IUPAC Name: 5-[(2-hydroxyphenyl)methyl]-2-methyl-6-phenyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-[(2-hydroxyphenyl)methyl]-2-methyl-6-phenyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C18H16N2O2
MOLECULAR WEIGHT: 292.33184
SMILES: CC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC3=CC=CC=C3O
Structure:
CAS RN: 19102-33-1
CAS Name: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7H-purine-6,8-dione
OPENEYE Name: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7H-purine-6,8-dione
IUPAC Name: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
SYSTEMATIC NAME: 1,2-bis(azanyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7H-purine-6,8-dione
MOLECULAR FORMULA: C10H14N6O6
MOLECULAR WEIGHT: 314.25476
SMILES: C(C1C(C(C(O1)N2C3=C(C(=O)N(C(=N3)N)N)NC2=O)O)O)O
Structure:
CAS RN: 1911-63-3
CAS Name: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinone
OPENEYE Name: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one
IUPAC Name: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
SYSTEMATIC NAME: 1,2-bis(azanyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one
MOLECULAR FORMULA: C10H14N6O5
MOLECULAR WEIGHT: 298.25536
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N(C2=O)N)N
Structure:
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