Product OPENEYE NAME: methyl 3-dimethoxyphosphoryloxybut-2-enoate
CAS Name: 3-dimethoxyphosphoryloxy-2-butenoic acid methyl ester
IUPAC NAME: methyl 3-dimethoxyphosphoryloxybut-2-enoate
SYSTEMATIC NAME: methyl 3-dimethoxyphosphoryloxybut-2-enoate
MOLECULAR FORMULA: C7H13O6P
MOLECULAR WEIGHT: 224.148281
SMILES: CC(=CC(=O)OC)OP(=O)(OC)OC
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Product OPENEYE NAME: 2,3-dichloro-1,1,1-trifluoro-propane
CAS Name: 2,3-dichloro-1,1,1-trifluoropropane
IUPAC NAME: 2,3-dichloro-1,1,1-trifluoropropane
SYSTEMATIC NAME: 2,3-bis(chloranyl)-1,1,1-tris(fluoranyl)propane
MOLECULAR FORMULA: C3H3Cl2F3
MOLECULAR WEIGHT: 166.95713
SMILES: C(C(C(F)(F)F)Cl)Cl
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Product OPENEYE NAME: (9R,11S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS Name: (9R,11S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (9R,11S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (9R,11S)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H27FO5
MOLECULAR WEIGHT: 378.434483
SMILES: CC12C[C@@H]([C@]3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O
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Product OPENEYE NAME: [2-[(9R,11S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(9R,11S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(9R,11S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(9R,11S)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H29FO6
MOLECULAR WEIGHT: 420.471163
SMILES: CC(=O)OCC(=O)C1(CCC2C1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=CC43C)F)O)C)O
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Product OPENEYE NAME: 1-(4-aminophenyl)sulfonyl-3-butyl-urea
CAS Name: 1-(4-aminophenyl)sulfonyl-3-butylurea
IUPAC NAME: 1-(4-aminophenyl)sulfonyl-3-butylurea
SYSTEMATIC NAME: 1-(4-aminophenyl)sulfonyl-3-butyl-urea
MOLECULAR FORMULA: C11H17N3O3S
MOLECULAR WEIGHT: 271.33598
SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
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Product OPENEYE NAME: N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
CAS Name: N-[5-(2-methoxyethoxy)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C13H15N3O4S
MOLECULAR WEIGHT: 309.3409
SMILES: COCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 1,1,1,2-tetrachloro-2-(2-fluoroethoxy)ethane
CAS Name: 1,1,1,2-tetrachloro-2-(2-fluoroethoxy)ethane
IUPAC NAME: 1,1,1,2-tetrachloro-2-(2-fluoroethoxy)ethane
SYSTEMATIC NAME: 1,1,1,2-tetrakis(chloranyl)-2-(2-fluoranylethoxy)ethane
MOLECULAR FORMULA: C4H5Cl4FO
MOLECULAR WEIGHT: 229.892303
SMILES: C(CF)OC(C(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: 3-(2-chlorophenyl)-2-methyl-quinazolin-4-one
CAS Name: 3-(2-chlorophenyl)-2-methyl-4-quinazolinone
IUPAC NAME: 3-(2-chlorophenyl)-2-methylquinazolin-4-one
SYSTEMATIC NAME: 3-(2-chlorophenyl)-2-methyl-quinazolin-4-one
MOLECULAR FORMULA: C15H11ClN2O
MOLECULAR WEIGHT: 270.71364
SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl
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Product OPENEYE NAME: N,N-dimethyl-2-[o-tolyl(phenyl)methoxy]ethanamine hydrochloride
CAS Name: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine hydrochloride
IUPAC NAME: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-[(2-methylphenyl)-phenyl-methoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C18H24ClNO
MOLECULAR WEIGHT: 305.84226
SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.Cl
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Product OPENEYE NAME: 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-5-guani
CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[[1-[2-[[2-[[2-[[[1-[[1-[5-(diaminomethylideneamino)-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-ox
IUPAC NAME: 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]am
SYSTEMATIC NAME: 2-[[2-[[1-[2-[[2-[2-[[1-[1-[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phen
MOLECULAR FORMULA: C56H85N17O12
MOLECULAR WEIGHT: 1188.3808
SMILES: C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
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Product OPENEYE NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylthio)-9-purinyl]oxolane-3,4-diol
IUPAC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: 2-amino-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
CAS Name: 2-amino-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 2-amino-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H18Cl2N2O2
MOLECULAR WEIGHT: 305.20022
SMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl
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Product OPENEYE NAME: 2-fluoroethyl N-(1-naphthyl)carbamate
CAS Name: N-(1-naphthalenyl)carbamic acid 2-fluoroethyl ester
IUPAC NAME: 2-fluoroethyl N-naphthalen-1-ylcarbamate
SYSTEMATIC NAME: 2-fluoranylethyl N-naphthalen-1-ylcarbamate
MOLECULAR FORMULA: C13H12FNO2
MOLECULAR WEIGHT: 233.238283
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCF
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Product OPENEYE NAME: N,N-dimethyl-4-(2,4,6-trifluorophenyl)azo-aniline
CAS Name: N,N-dimethyl-4-(2,4,6-trifluorophenyl)azoaniline
IUPAC NAME: N,N-dimethyl-4-[(2,4,6-trifluorophenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[[2,4,6-tris(fluoranyl)phenyl]diazenyl]aniline
MOLECULAR FORMULA: C14H12F3N3
MOLECULAR WEIGHT: 279.26039
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2F)F)F
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Product OPENEYE NAME: N-(7-fluoro-9H-fluoren-2-yl)acetamide
CAS Name: N-(7-fluoro-9H-fluoren-2-yl)acetamide
IUPAC NAME: N-(7-fluoro-9H-fluoren-2-yl)acetamide
SYSTEMATIC NAME: N-(7-fluoranyl-9H-fluoren-2-yl)ethanamide
MOLECULAR FORMULA: C15H12FNO
MOLECULAR WEIGHT: 241.260283
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)F
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Product OPENEYE NAME: 1-(5-fluoro-1H-indol-3-yl)-N,N-dimethyl-methanamine
CAS Name: 1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
IUPAC NAME: 1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-(5-fluoranyl-1H-indol-3-yl)-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C11H13FN2
MOLECULAR WEIGHT: 192.232723
SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)F
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Product OPENEYE NAME: 2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CAS Name: 2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
IUPAC NAME: 2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C11H11FN2O2
MOLECULAR WEIGHT: 222.215643
SMILES: C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N
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Product OPENEYE NAME: 1-bromo-2,3,4,5,6-pentafluoro-benzene
CAS Name: 1-bromo-2,3,4,5,6-pentafluorobenzene
IUPAC NAME: 1-bromo-2,3,4,5,6-pentafluorobenzene
SYSTEMATIC NAME: 1-bromanyl-2,3,4,5,6-pentakis(fluoranyl)benzene
MOLECULAR FORMULA: C6BrF5
MOLECULAR WEIGHT: 246.960216
SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)F
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