Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide
CAS Name: 2-(2-furanyl)-3-(5-nitro-2-furanyl)-2-propenamide
IUPAC NAME: 2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
SYSTEMATIC NAME: 2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
MOLECULAR FORMULA: C11H8N2O5
MOLECULAR WEIGHT: 248.19162
SMILES: C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N
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Product OPENEYE NAME: but-2-enedioic acid; N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine
CAS Name: but-2-enedioic acid; N1,N1,N2,N2-tetramethyl-3-(10-phenothiazinyl)propane-1,2-diamine
IUPAC NAME: but-2-enedioic acid; 1-N,1-N,2-N,2-N-tetramethyl-3-phenothiazin-10-ylpropane-1,2-diamine
SYSTEMATIC NAME: but-2-enedioic acid; N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine
MOLECULAR FORMULA: C23H29N3O4S
MOLECULAR WEIGHT: 443.55906
SMILES: CN(C)CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=CC(=O)O)C(=O)O
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Product OPENEYE NAME: N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine
CAS Name: N1,N1,N2,N2-tetramethyl-3-(10-phenothiazinyl)propane-1,2-diamine
IUPAC NAME: 1-N,1-N,2-N,2-N-tetramethyl-3-phenothiazin-10-ylpropane-1,2-diamine
SYSTEMATIC NAME: N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine
MOLECULAR FORMULA: C19H25N3S
MOLECULAR WEIGHT: 327.4869
SMILES: CN(C)CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
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Product OPENEYE NAME: 4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CAS Name: 4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
IUPAC NAME: 4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-methyl-3-(methylsulfamoyl)benzamide
MOLECULAR FORMULA: C9H11ClN2O3S
MOLECULAR WEIGHT: 262.71324
SMILES: CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC
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Product OPENEYE NAME: diethoxyphosphinothioyloxy-diethoxy-thioxo-$l^{5}-phosphane
CAS Name: diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane
IUPAC NAME: diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H20O5P2S2
MOLECULAR WEIGHT: 322.318922
SMILES: CCOP(=S)(OCC)OP(=S)(OCC)OCC
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Product OPENEYE NAME: 3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine
CAS Name: 3-(5,5-dioxo-10-phenothiazinyl)-N,N,2-trimethyl-1-propanamine
IUPAC NAME: 3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
SYSTEMATIC NAME: 3-[5,5-bis(oxidanylidene)phenothiazin-10-yl]-N,N,2-trimethyl-propan-1-amine
MOLECULAR FORMULA: C18H22N2O2S
MOLECULAR WEIGHT: 330.44448
SMILES: CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C
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Product OPENEYE NAME: N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC NAME: N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: N-(1H-benzimidazol-2-ylmethyl)-2-chloranyl-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C12H15Cl2N3
MOLECULAR WEIGHT: 272.1736
SMILES: C1=CC=C2C(=C1)NC(=N2)CN(CCCl)CCCl
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Product OPENEYE NAME: ethyl 2-dimethoxyphosphorylsulfanyl-2-phenyl-acetate
CAS Name: 2-(dimethoxyphosphorylthio)-2-phenylacetic acid ethyl ester
IUPAC NAME: ethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetate
SYSTEMATIC NAME: ethyl 2-dimethoxyphosphorylsulfanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C12H17O5PS
MOLECULAR WEIGHT: 304.299141
SMILES: CCOC(=O)C(C1=CC=CC=C1)SP(=O)(OC)OC
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Product OPENEYE NAME: N-[2-(diethylamino)ethyl]benzamide
CAS Name: N-[2-(diethylamino)ethyl]benzamide
IUPAC NAME: N-[2-(diethylamino)ethyl]benzamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]benzamide
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CCN(CC)CCNC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 1-(aziridin-1-yl)but-3-en-2-ol
CAS Name: 1-(1-aziridinyl)-3-buten-2-ol
IUPAC NAME: 1-(aziridin-1-yl)but-3-en-2-ol
SYSTEMATIC NAME: 1-(aziridin-1-yl)but-3-en-2-ol
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: C=CC(CN1CC1)O
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Product OPENEYE NAME: 2-[2-(4-chlorophenyl)-2-phenyl-acetyl]indane-1,3-dione
CAS Name: 2-[2-(4-chlorophenyl)-1-oxo-2-phenylethyl]indene-1,3-dione
IUPAC NAME: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
SYSTEMATIC NAME: 2-[2-(4-chlorophenyl)-2-phenyl-ethanoyl]indene-1,3-dione
MOLECULAR FORMULA: C23H15ClO3
MOLECULAR WEIGHT: 374.8164
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: (3-prop-2-ynoxyphenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (3-prop-2-ynoxyphenyl) ester
IUPAC NAME: (3-prop-2-ynoxyphenyl) N-methylcarbamate
SYSTEMATIC NAME: (3-prop-2-ynoxyphenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CNC(=O)OC1=CC(=CC=C1)OCC#C
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Product OPENEYE NAME: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
CAS Name: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
IUPAC NAME: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
SYSTEMATIC NAME: 7-chloranyl-N,N-dimethyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
MOLECULAR FORMULA: C17H16ClN3O
MOLECULAR WEIGHT: 313.78144
SMILES: CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: dibenzofuran-2-amine
CAS Name: 2-dibenzofuranamine
IUPAC NAME: dibenzofuran-2-amine
SYSTEMATIC NAME: dibenzofuran-2-amine
MOLECULAR FORMULA: C12H9NO
MOLECULAR WEIGHT: 183.20596
SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N
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