CAS RN: 2524-20-1
CAS Name: acetic acid (17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (17-acetyl-4-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (17-ethanoyl-10,13-dimethyl-4-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)C1(CCC2C1(CCC3C2CCC4=C(C(=O)CCC34C)O)C)OC(=O)C
Structure:
CAS RN: 23463-07-2
CAS Name: acetic acid (4-hydroxy-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (4-hydroxy-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (4-hydroxy-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (13-methyl-4-oxidanyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)CCC34)O)C
Structure:
CAS RN: 2747-16-2
CAS Name: 4,17-dihydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 4,17-dihydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 4,17-dihydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 13,17-dimethyl-4,17-bis(oxidanyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: CC12CCC3C(C1CCC2(C)O)CCC4=C(C(=O)CCC34)O
Structure:
CAS RN: 1164-99-4
CAS Name: acetic acid (4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (4-chloro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (4-chloranyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C20H27ClO3
MOLECULAR WEIGHT: 350.87958
SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)CCC34)Cl)C
Structure:
CAS RN: 3415-90-5
CAS Name: 4-chloro-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 4-chloro-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 4-chloro-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 4-chloranyl-13,17-dimethyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H27ClO2
MOLECULAR WEIGHT: 322.86948
SMILES: CC12CCC3C(C1CCC2(C)O)CCC4=C(C(=O)CCC34)Cl
Structure:
CAS RN: 4425-60-9
CAS Name: 2,4,6-trioxo-1,3-diazinane-5-carboxaldehyde
OPENEYE Name: 2,4,6-trioxohexahydropyrimidine-5-carbaldehyde
IUPAC Name: 2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
SYSTEMATIC NAME: 2,4,6-tris(oxidanylidene)-1,3-diazinane-5-carbaldehyde
MOLECULAR FORMULA: C5H4N2O4
MOLECULAR WEIGHT: 156.09626
SMILES: C(=O)C1C(=O)NC(=O)NC1=O
Structure:
CAS RN: 1740-58-5
CAS Name: N,N'-dimethylhexanediamide
OPENEYE Name: N,N'-dimethylhexanediamide
IUPAC Name: N,N'-dimethylhexanediamide
SYSTEMATIC NAME: N,N'-dimethylhexanediamide
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CNC(=O)CCCCC(=O)NC
Structure:
CAS RN: 57724-25-1
CAS Name: 3-(dipropylamino)propanoic acid
OPENEYE Name: 3-(dipropylamino)propanoic acid
IUPAC Name: 3-(dipropylamino)propanoic acid
SYSTEMATIC NAME: 3-(dipropylamino)propanoic acid
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: CCCN(CCC)CCC(=O)O
Structure:
CAS RN: 17285-04-0
CAS Name: 3-chloro-6-(2,4-dichlorophenoxy)pyridazine
OPENEYE Name: 3-chloro-6-(2,4-dichlorophenoxy)pyridazine
IUPAC Name: 3-chloro-6-(2,4-dichlorophenoxy)pyridazine
SYSTEMATIC NAME: 3-[2,4-bis(chloranyl)phenoxy]-6-chloranyl-pyridazine
MOLECULAR FORMULA: C10H5Cl3N2O
MOLECULAR WEIGHT: 275.5185
SMILES: C1=CC(=C(C=C1Cl)Cl)OC2=NN=C(C=C2)Cl
Structure:
CAS RN: 6560-37-8
CAS Name: 2-[5-(carboxymethyl)-3,6-dioxo-2-piperazinyl]acetic acid
OPENEYE Name: 2-[5-(carboxymethyl)-3,6-dioxo-piperazin-2-yl]acetic acid
IUPAC Name: 2-[5-(carboxymethyl)-3,6-dioxopiperazin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[5-(2-hydroxy-2-oxoethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]ethanoic acid
MOLECULAR FORMULA: C8H10N2O6
MOLECULAR WEIGHT: 230.1748
SMILES: C(C1C(=O)NC(C(=O)N1)CC(=O)O)C(=O)O
Structure:
CAS RN: 24445-29-2
CAS Name: 3-hydroxy-N-(1H-1,2,4-triazol-5-yl)-2-naphthalenecarboxamide
OPENEYE Name: 3-hydroxy-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
IUPAC Name: 3-hydroxy-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
SYSTEMATIC NAME: 3-oxidanyl-N-(1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=NC=NN3)O
Structure:
CAS RN: 21116-02-9
CAS Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanenitrile
OPENEYE Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
IUPAC Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
SYSTEMATIC NAME: 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
MOLECULAR FORMULA: C5H6N4S2
MOLECULAR WEIGHT: 186.25794
SMILES: C(CSC1=NN=C(S1)N)C#N
Structure:
CAS RN: 13691-28-6
CAS Name: 1-(4-aminophenyl)-5-methyl-2-pyrrolidinone
OPENEYE Name: 1-(4-aminophenyl)-5-methyl-pyrrolidin-2-one
IUPAC Name: 1-(4-aminophenyl)-5-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-aminophenyl)-5-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: CC1CCC(=O)N1C2=CC=C(C=C2)N
Structure:
CAS RN: 6913-19-5
CAS Name: 3-methylsulfonyl-1,2,4-thiadiazol-5-amine
OPENEYE Name: 3-methylsulfonyl-1,2,4-thiadiazol-5-amine
IUPAC Name: 3-methylsulfonyl-1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 3-methylsulfonyl-1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C3H5N3O2S2
MOLECULAR WEIGHT: 179.2207
SMILES: CS(=O)(=O)C1=NSC(=N1)N
Structure:
CAS RN: 4852-91-9
CAS Name: 2-amino-5-octoxy-5-oxopentanoic acid
OPENEYE Name: 2-amino-5-octoxy-5-oxo-pentanoic acid
IUPAC Name: 2-amino-5-octoxy-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-octoxy-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H25NO4
MOLECULAR WEIGHT: 259.3419
SMILES: CCCCCCCCOC(=O)CCC(C(=O)O)N
Structure:
CAS RN: 5589-84-4
CAS Name: 2-[[1-oxo-2-[[oxo-(phenylthio)methyl]amino]ethyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
IUPAC Name: ethyl 2-[[2-(phenylsulfanylcarbonylamino)acetyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[2-(phenylsulfanylcarbonylamino)ethanoylamino]ethanoate
MOLECULAR FORMULA: C13H16N2O4S
MOLECULAR WEIGHT: 296.34214
SMILES: CCOC(=O)CNC(=O)CNC(=O)SC1=CC=CC=C1
Structure:
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