Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3,4,4-trideuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3,4,4-trideuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3,4,4-trideuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3,4,4-trideuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 232.32018
SMILES: [2H]C1(C(OC(=O)N1[2H])C([2H])([2H])OC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 229.301694
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OC([2H])([2H])C2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 235.338665
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OC([2H])([2H])C2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 225.277047
SMILES: [2H]C1(C(OC(=O)N1[2H])([2H])COC2=CC(=CC(=C2)C)C)[2H]
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[4-[[4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[4-[[4-(2,4-dichlorophenyl)-1-piperazinyl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[4-[[4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[4-[[4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C27H23Cl4N5O2
MOLECULAR WEIGHT: 591.31582
SMILES: C1CN(CCN1CC2=CC=C(C=C2)COC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: isopropyl (2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
CAS Name: (2S)-2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
MOLECULAR FORMULA: C19H32N5O8P
MOLECULAR WEIGHT: 489.459841
SMILES: CC(C)[C@H](C(=O)N[C@@H](COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)C(=O)OC(C)C)N
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Product OPENEYE NAME: isopropyl (2S)-2-[(2-amino-3-methyl-butanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
CAS Name: (2S)-2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[(2-azanyl-3-methyl-butanoyl)amino]-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
MOLECULAR FORMULA: C19H32N5O8P
MOLECULAR WEIGHT: 489.459841
SMILES: CC(C)C(C(=O)N[C@@H](COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)C(=O)OC(C)C)N
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Product OPENEYE NAME: [(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-isopropoxy-3-oxo-propoxy]-[[(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl]phosphinic acid
CAS Name: [(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-[[(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl]phosphinic acid
IUPAC NAME: [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl]phosphinic acid
SYSTEMATIC NAME: [(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanylidene-3-propan-2-yloxy-propoxy]-[[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl]phosphinic acid
MOLECULAR FORMULA: C19H34N5O9P
MOLECULAR WEIGHT: 507.475121
SMILES: CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O)C(=O)OC(C)C)N
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Product OPENEYE NAME: isopropyl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
CAS Name: (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]butanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
SYSTEMATIC NAME: propan-2-yl (2S,3R)-2-azanyl-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
MOLECULAR FORMULA: C15H25N4O7P
MOLECULAR WEIGHT: 404.355361
SMILES: C[C@H]([C@@H](C(=O)OC(C)C)N)OP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N
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Product OPENEYE NAME: methyl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
CAS Name: (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]butanoic acid methyl ester
IUPAC NAME: methyl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
SYSTEMATIC NAME: methyl (2S,3R)-2-azanyl-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
MOLECULAR FORMULA: C13H21N4O7P
MOLECULAR WEIGHT: 376.302201
SMILES: C[C@H]([C@@H](C(=O)OC)N)OP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N
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Product OPENEYE NAME: S-[2-[[(2R,3R,4R,5S)-5-[2-amino-4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[(2R,3R,4R,5S)-5-[2-amino-4-(methylamino)-7-imidazo[2,1-f][1,2,4]triazinyl]-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxyethyl] ester
IUPAC NAME: S-[2-[[(2R,3R,4R,5S)-5-[2-amino-4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
SYSTEMATIC NAME: S-[2-[[(2R,3R,4R,5S)-5-[2-azanyl-4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
MOLECULAR FORMULA: C26H43N6O9PS2
MOLECULAR WEIGHT: 678.758181
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2N=C(N=C3NC)N)COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O)O
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Product OPENEYE NAME: methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[[(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(2-azanyl-4-oxidanylidene-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
MOLECULAR FORMULA: C21H27N6O9P
MOLECULAR WEIGHT: 538.447641
SMILES: C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=CN=C3N2NC(=NC3=O)N)(C)O)O)OC4=CC=CC=C4
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Product OPENEYE NAME: isopropyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]amino]propanoate
MOLECULAR FORMULA: C23H30ClN6O8P
MOLECULAR WEIGHT: 584.946461
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=CN=C3N2N=CN=C3N)(C)O)O)OC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-5-[[(4S)-2-oxo-4-(4-pyridyl)-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-3-methyl-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]oxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-5-[[(4S)-2-oxidanylidene-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]oxolane-3,4-diol
MOLECULAR FORMULA: C19H23N6O7P
MOLECULAR WEIGHT: 478.395681
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2N=CN=C3N)COP4(=O)OCC[C@H](O4)C5=CC=NC=C5)O)O
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Product OPENEYE NAME: (3aS,4S,6R,6aR)-4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3a-methyl-6-[[(4S)-2-oxo-4-(4-pyridyl)-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
CAS Name: (3aS,4S,6R,6aR)-4-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-3a-methyl-6-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
IUPAC NAME: (3aS,4S,6R,6aR)-4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3a-methyl-6-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
SYSTEMATIC NAME: (3aS,4S,6R,6aR)-4-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3a-methyl-6-[[(4S)-2-oxidanylidene-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
MOLECULAR FORMULA: C20H21N6O8P
MOLECULAR WEIGHT: 504.389901
SMILES: C[C@@]12[C@@H]([C@H](O[C@H]1C3=CN=C4N3N=CN=C4N)COP5(=O)OCC[C@H](O5)C6=CC=NC=C6)OC(=O)O2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C18H12Cl2F3N3O3
MOLECULAR WEIGHT: 446.20739
SMILES: CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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