Product OPENEYE NAME: 2-(hexadecylsulfanylmethyl)-3-methylsulfonyl-propan-1-ol
CAS Name: 2-[(hexadecylthio)methyl]-3-methylsulfonyl-1-propanol
IUPAC NAME: 2-(hexadecylsulfanylmethyl)-3-methylsulfonylpropan-1-ol
SYSTEMATIC NAME: 2-(hexadecylsulfanylmethyl)-3-methylsulfonyl-propan-1-ol
MOLECULAR FORMULA: C21H44O3S2
MOLECULAR WEIGHT: 408.70226
SMILES: CCCCCCCCCCCCCCCCSCC(CO)CS(=O)(=O)C
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Product OPENEYE NAME: 2-(hexadecylsulfanylmethyl)-3-methoxy-propan-1-ol; phosphoric acid
CAS Name: 2-[(hexadecylthio)methyl]-3-methoxy-1-propanol; phosphoric acid
IUPAC NAME: 2-(hexadecylsulfanylmethyl)-3-methoxypropan-1-ol; phosphoric acid
SYSTEMATIC NAME: 2-(hexadecylsulfanylmethyl)-3-methoxy-propan-1-ol; phosphoric acid
MOLECULAR FORMULA: C21H47O6PS
MOLECULAR WEIGHT: 458.633041
SMILES: CCCCCCCCCCCCCCCCSCC(CO)COC.OP(=O)(O)O
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Product OPENEYE NAME: benzene; 2-ethylpropane-1,3-diol
CAS Name: benzene; 2-ethylpropane-1,3-diol
IUPAC NAME: benzene; 2-ethylpropane-1,3-diol
SYSTEMATIC NAME: benzene; 2-ethylpropane-1,3-diol
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCC(CO)CO.C1=CC=CC=C1
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Product OPENEYE NAME: 3-(2-pentadecylsulfonylethylsulfanyl)propan-1-ol
CAS Name: 3-(2-pentadecylsulfonylethylthio)-1-propanol
IUPAC NAME: 3-(2-pentadecylsulfonylethylsulfanyl)propan-1-ol
SYSTEMATIC NAME: 3-(2-pentadecylsulfonylethylsulfanyl)propan-1-ol
MOLECULAR FORMULA: C20H42O3S2
MOLECULAR WEIGHT: 394.67568
SMILES: CCCCCCCCCCCCCCCS(=O)(=O)CCSCCCO
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Product OPENEYE NAME: 17-ethyl-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CAS Name: 17-ethyl-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
IUPAC NAME: 17-ethyl-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
SYSTEMATIC NAME: 17-ethyl-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
MOLECULAR FORMULA: C22H37N
MOLECULAR WEIGHT: 315.53588
SMILES: CCC1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC)C)C
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Product OPENEYE NAME: 17-ethyl-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-amine
CAS Name: 17-ethyl-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-amine
IUPAC NAME: 17-ethyl-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-amine
SYSTEMATIC NAME: 17-ethyl-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-amine
MOLECULAR FORMULA: C22H37N
MOLECULAR WEIGHT: 315.53588
SMILES: CCC1CCC2C1(CCC3C2CC=C4C3(CCC(C4)(C)N)C)C
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Product OPENEYE NAME: N-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-amino-propanamide hydrochloride
CAS Name: N-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-aminopropanamide hydrochloride
IUPAC NAME: N-(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-aminopropanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-(17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)propanamide hydrochloride
MOLECULAR FORMULA: C24H39ClN2O2
MOLECULAR WEIGHT: 423.03166
SMILES: CC(C(=O)NC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(=O)C)C)C)N.Cl
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Product OPENEYE NAME: 17-ethyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: 17-ethyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: 17-ethyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-ethyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O
MOLECULAR WEIGHT: 300.47818
SMILES: CCC1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
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Product OPENEYE NAME: fumaric acid; 3-(1H-indol-3-yl)propanamide
CAS Name: (E)-2-butenedioic acid; 3-(1H-indol-3-yl)propanamide
IUPAC NAME: (E)-but-2-enedioic acid; 3-(1H-indol-3-yl)propanamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(1H-indol-3-yl)propanamide
MOLECULAR FORMULA: C15H16N2O5
MOLECULAR WEIGHT: 304.29794
SMILES: C1=CC=C2C(=C1)C(=CN2)CCC(=O)N.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 2-(1-phenylpyrimido[1,6-a]indol-5-yl)acetic acid
CAS Name: 2-(1-phenyl-5-pyrimido[1,6-a]indolyl)acetic acid
IUPAC NAME: 2-(1-phenylpyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(1-phenylpyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C19H14N2O2
MOLECULAR WEIGHT: 302.32666
SMILES: C1=CC=C(C=C1)C2=NC=CC3=C(C4=CC=CC=C4N32)CC(=O)O
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Product OPENEYE NAME: 2-[1-(4-chlorophenyl)-7-methoxy-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[1-(4-chlorophenyl)-7-methoxy-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[1-(4-chlorophenyl)-7-methoxy-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)-7-methoxy-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H17ClN2O3
MOLECULAR WEIGHT: 368.81358
SMILES: COC1=CC2=C(C=C1)N3C(=C2CC(=O)O)CCN=C3C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[7-fluoro-1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-fluoro-1-[4-(methylthio)phenyl]-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[7-fluoro-1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-fluoranyl-1-(4-methylsulfanylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H17FN2O2S
MOLECULAR WEIGHT: 368.424583
SMILES: CSC1=CC=C(C=C1)C2=NCCC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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Product OPENEYE NAME: 2-[7-fluoro-1-(4-methoxyphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-fluoro-1-(4-methoxyphenyl)-5-pyrimido[1,6-a]indolyl]acetic acid
IUPAC NAME: 2-[7-fluoro-1-(4-methoxyphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-fluoranyl-1-(4-methoxyphenyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H15FN2O3
MOLECULAR WEIGHT: 350.343103
SMILES: COC1=CC=C(C=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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Product OPENEYE NAME: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide
CAS Name: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide
IUPAC NAME: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide
SYSTEMATIC NAME: 2-chloranyl-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide
MOLECULAR FORMULA: C19H15ClN4O2S
MOLECULAR WEIGHT: 398.866
SMILES: C1CN=C(N2C1=C(C3=CC=CC=C32)CC#N)C4=CC(=C(C=C4)Cl)S(=O)(=O)N
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Product OPENEYE NAME: N-[1-[3-(2-amino-2-oxo-ethyl)-1H-indol-2-yl]ethyl]benzamide
CAS Name: N-[1-[3-(2-amino-2-oxoethyl)-1H-indol-2-yl]ethyl]benzamide
IUPAC NAME: N-[1-[3-(2-amino-2-oxoethyl)-1H-indol-2-yl]ethyl]benzamide
SYSTEMATIC NAME: N-[1-[3-(2-azanyl-2-oxidanylidene-ethyl)-1H-indol-2-yl]ethyl]benzamide
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: CC(C1=C(C2=CC=CC=C2N1)CC(=O)N)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(7-fluoro-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
CAS Name: 2-(7-fluoro-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
IUPAC NAME: 2-(7-fluoro-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(7-fluoranyl-1-phenyl-3,4-dihydropyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C19H15FN2O2
MOLECULAR WEIGHT: 322.333003
SMILES: C1CN=C(N2C1=C(C3=C2C=CC(=C3)F)CC(=O)O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethyl-indol-3-yl]acetic acid
CAS Name: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethyl-3-indolyl]acetic acid
IUPAC NAME: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethylindol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(1-azanylethyl)-4,5-dimethyl-2-(phenylcarbonyl)indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CC1=C(C2=C(C=C1)N=C(C2(CC(=O)O)C(C)N)C(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-(7-fluoro-1-phenyl-pyrimido[1,6-a]indol-5-yl)acetic acid
CAS Name: 2-(7-fluoro-1-phenyl-5-pyrimido[1,6-a]indolyl)acetic acid
IUPAC NAME: 2-(7-fluoro-1-phenylpyrimido[1,6-a]indol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(7-fluoranyl-1-phenyl-pyrimido[1,6-a]indol-5-yl)ethanoic acid
MOLECULAR FORMULA: C19H13FN2O2
MOLECULAR WEIGHT: 320.317123
SMILES: C1=CC=C(C=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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Product OPENEYE NAME: 2-[1-(4-chloro-3-sulfamoyl-phenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetamide
CAS Name: 2-[1-(4-chloro-3-sulfamoylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetamide
IUPAC NAME: 2-[1-(4-chloro-3-sulfamoylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetamide
SYSTEMATIC NAME: 2-[1-(4-chloranyl-3-sulfamoyl-phenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanamide
MOLECULAR FORMULA: C19H17ClN4O3S
MOLECULAR WEIGHT: 416.88128
SMILES: C1CN=C(N2C1=C(C3=CC=CC=C32)CC(=O)N)C4=CC(=C(C=C4)Cl)S(=O)(=O)N
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Product OPENEYE NAME: 2-[7-fluoro-1-(4-methylsulfinylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-fluoro-1-(4-methylsulfinylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[7-fluoro-1-(4-methylsulfinylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-fluoranyl-1-(4-methylsulfinylphenyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H17FN2O3S
MOLECULAR WEIGHT: 384.423983
SMILES: CS(=O)C1=CC=C(C=C1)C2=NCCC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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Product OPENEYE NAME: 2-[7-methoxy-1-(2-pyridylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-methoxy-1-(2-pyridinylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
IUPAC NAME: 2-[7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H19N3O3
MOLECULAR WEIGHT: 349.38316
SMILES: COC1=CC2=C(C=C1)N3C(=C2CC(=O)O)CCN=C3CC4=CC=CC=N4
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Product OPENEYE NAME: 2-[7-fluoro-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-fluoro-1-[4-(methylthio)phenyl]-5-pyrimido[1,6-a]indolyl]acetic acid
IUPAC NAME: 2-[7-fluoro-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-fluoranyl-1-(4-methylsulfanylphenyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H15FN2O2S
MOLECULAR WEIGHT: 366.408703
SMILES: CSC1=CC=C(C=C1)C2=NC=CC3=C(C4=C(N32)C=CC(=C4)F)CC(=O)O
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