Tuesday, August 9, 2011

All Chemical Compounds Information



Product OPENEYE NAME: 2-ethylsulfanylethylsulfanyl-dimethoxy-thioxo-$l^{5}-phosphane
CAS Name: [2-(ethylthio)ethylthio]-dimethoxy-sulfanylidenephosphorane
IUPAC NAME: 2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: 2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C6H15O2PS3
MOLECULAR WEIGHT: 246.350861
SMILES: CCSCCSP(=S)(OC)OC
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Product OPENEYE NAME: 2-fluoroacetamide
CAS Name: 2-fluoroacetamide
IUPAC NAME: 2-fluoroacetamide
SYSTEMATIC NAME: 2-fluoranylethanamide
MOLECULAR FORMULA: C2H4FNO
MOLECULAR WEIGHT: 77.057663
SMILES: C(C(=O)N)F
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Product OPENEYE NAME: N,4-dimethylbenzenesulfonamide
CAS Name: N,4-dimethylbenzenesulfonamide
IUPAC NAME: N,4-dimethylbenzenesulfonamide
SYSTEMATIC NAME: N,4-dimethylbenzenesulfonamide
MOLECULAR FORMULA: C8H11NO2S
MOLECULAR WEIGHT: 185.24344
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC
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Product OPENEYE NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
CAS Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid
IUPAC NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C26H43NO5
MOLECULAR WEIGHT: 449.62332
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O
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Product OPENEYE NAME: 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS Name: 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC NAME: 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C21H36
MOLECULAR WEIGHT: 288.51054
SMILES: CCC1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
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Product OPENEYE NAME: 1,2,3,8-tetrahydroxy-6-methyl-anthracene-9,10-dione
CAS Name: 1,2,3,8-tetrahydroxy-6-methylanthracene-9,10-dione
IUPAC NAME: 1,2,3,8-tetrahydroxy-6-methylanthracene-9,10-dione
SYSTEMATIC NAME: 6-methyl-1,2,3,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O6
MOLECULAR WEIGHT: 286.2363
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O)O
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Product OPENEYE NAME: 1-phenyl-2-(2-phenylphenyl)benzene
CAS Name: 1-phenyl-2-(2-phenylphenyl)benzene
IUPAC NAME: 1-phenyl-2-(2-phenylphenyl)benzene
SYSTEMATIC NAME: 1-phenyl-2-(2-phenylphenyl)benzene
MOLECULAR FORMULA: C24H18
MOLECULAR WEIGHT: 306.39972
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3C4=CC=CC=C4
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Product OPENEYE NAME: [3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
CAS Name: 3-methylbutanoic acid [3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester
IUPAC NAME: [3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
SYSTEMATIC NAME: [3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
MOLECULAR FORMULA: C28H40N2O9
MOLECULAR WEIGHT: 548.6252
SMILES: CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
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Product OPENEYE NAME: 1-allyl-6-amino-3-ethyl-pyrimidine-2,4-dione
CAS Name: 6-amino-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-ethyl-1-prop-2-enylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-ethyl-1-prop-2-enyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H13N3O2
MOLECULAR WEIGHT: 195.21842
SMILES: CCN1C(=O)C=C(N(C1=O)CC=C)N
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Product OPENEYE NAME: 2-benzhydryloxy-N,N-diethyl-ethanamine
CAS Name: 2-(diphenylmethyl)oxy-N,N-diethylethanamine
IUPAC NAME: 2-benzhydryloxy-N,N-diethylethanamine
SYSTEMATIC NAME: 2-(diphenylmethyl)oxy-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C19H25NO
MOLECULAR WEIGHT: 283.4079
SMILES: CCN(CC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-acetyl-N-(9H-fluoren-2-yl)acetamide
CAS Name: N-acetyl-N-(9H-fluoren-2-yl)acetamide
IUPAC NAME: N-acetyl-N-(9H-fluoren-2-yl)acetamide
SYSTEMATIC NAME: N-ethanoyl-N-(9H-fluoren-2-yl)ethanamide
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)C(=O)C
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Product OPENEYE NAME: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethyl-propan-1-amine
CAS Name: N,N-dimethyl-3-[[1-(phenylmethyl)-3-indazolyl]oxy]-1-propanamine
IUPAC NAME: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: N,N-dimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxy-propan-1-amine
MOLECULAR FORMULA: C19H23N3O
MOLECULAR WEIGHT: 309.40542
SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
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Product OPENEYE NAME: 5,6-dihydroxy-1-methyl-indolin-3-one
CAS Name: 5,6-dihydroxy-1-methyl-2H-indol-3-one
IUPAC NAME: 5,6-dihydroxy-1-methyl-2H-indol-3-one
SYSTEMATIC NAME: 1-methyl-5,6-bis(oxidanyl)-2H-indol-3-one
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: CN1CC(=O)C2=CC(=C(C=C21)O)O
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Product OPENEYE NAME: 2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CAS Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizine
IUPAC NAME: 2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SYSTEMATIC NAME: 2,3,5,6,7,8-hexahydro-1H-pyrrolizine
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: C1CC2CCCN2C1
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Product OPENEYE NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetr
CAS Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;
IUPAC NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; octa
SYSTEMATIC NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-d
MOLECULAR FORMULA: C55H103NO15
MOLECULAR WEIGHT: 1018.40402
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
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Product OPENEYE NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetr
CAS Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
IUPAC NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SYSTEMATIC NAME: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-d
MOLECULAR FORMULA: C37H67NO13
MOLECULAR WEIGHT: 733.92678
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
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Product OPENEYE NAME: 2-isopropylaniline
CAS Name: 2-propan-2-ylaniline
IUPAC NAME: 2-propan-2-ylaniline
SYSTEMATIC NAME: 2-propan-2-ylaniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC(C)C1=CC=CC=C1N
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