Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(5-amino-6-ethylsulfanyl-2-pyridyl)acetamide
CAS Name: N-[5-amino-6-(ethylthio)-2-pyridinyl]acetamide
IUPAC NAME: N-(5-amino-6-ethylsulfanylpyridin-2-yl)acetamide
SYSTEMATIC NAME: N-(5-azanyl-6-ethylsulfanyl-pyridin-2-yl)ethanamide
MOLECULAR FORMULA: C9H13N3OS
MOLECULAR WEIGHT: 211.28402
SMILES: CCSC1=C(C=CC(=N1)NC(=O)C)N
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Product OPENEYE NAME: N-(5-amino-6-pyrrolidin-1-yl-2-pyridyl)acetamide
CAS Name: N-[5-amino-6-(1-pyrrolidinyl)-2-pyridinyl]acetamide
IUPAC NAME: N-(5-amino-6-pyrrolidin-1-ylpyridin-2-yl)acetamide
SYSTEMATIC NAME: N-(5-azanyl-6-pyrrolidin-1-yl-pyridin-2-yl)ethanamide
MOLECULAR FORMULA: C11H16N4O
MOLECULAR WEIGHT: 220.27094
SMILES: CC(=O)NC1=NC(=C(C=C1)N)N2CCCC2
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Product OPENEYE NAME: N-[6-(4-acetylpiperazin-1-yl)-5-amino-2-pyridyl]acetamide
CAS Name: N-[6-(4-acetyl-1-piperazinyl)-5-amino-2-pyridinyl]acetamide
IUPAC NAME: N-[6-(4-acetylpiperazin-1-yl)-5-aminopyridin-2-yl]acetamide
SYSTEMATIC NAME: N-[5-azanyl-6-(4-ethanoylpiperazin-1-yl)pyridin-2-yl]ethanamide
MOLECULAR FORMULA: C13H19N5O2
MOLECULAR WEIGHT: 277.32226
SMILES: CC(=O)NC1=NC(=C(C=C1)N)N2CCN(CC2)C(=O)C
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Product OPENEYE NAME: 6-ethylsulfanyl-5-fluoro-pyridin-2-amine
CAS Name: 6-(ethylthio)-5-fluoro-2-pyridinamine
IUPAC NAME: 6-ethylsulfanyl-5-fluoropyridin-2-amine
SYSTEMATIC NAME: 6-ethylsulfanyl-5-fluoranyl-pyridin-2-amine
MOLECULAR FORMULA: C7H9FN2S
MOLECULAR WEIGHT: 172.223163
SMILES: CCSC1=C(C=CC(=N1)N)F
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Product OPENEYE NAME: 5-fluoro-6-pyrrolidin-1-yl-pyridin-2-amine
CAS Name: 5-fluoro-6-(1-pyrrolidinyl)-2-pyridinamine
IUPAC NAME: 5-fluoro-6-pyrrolidin-1-ylpyridin-2-amine
SYSTEMATIC NAME: 5-fluoranyl-6-pyrrolidin-1-yl-pyridin-2-amine
MOLECULAR FORMULA: C9H12FN3
MOLECULAR WEIGHT: 181.210083
SMILES: C1CCN(C1)C2=C(C=CC(=N2)N)F
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Product OPENEYE NAME: 1-[4-(6-amino-3-fluoro-2-pyridyl)piperazin-1-yl]ethanone
CAS Name: 1-[4-(6-amino-3-fluoro-2-pyridinyl)-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-(6-amino-3-fluoropyridin-2-yl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(6-azanyl-3-fluoranyl-pyridin-2-yl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C11H15FN4O
MOLECULAR WEIGHT: 238.261403
SMILES: CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)N)F
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Product OPENEYE NAME: 6-chloro-3-fluoro-pyridin-2-amine
CAS Name: 6-chloro-3-fluoro-2-pyridinamine
IUPAC NAME: 6-chloro-3-fluoropyridin-2-amine
SYSTEMATIC NAME: 6-chloranyl-3-fluoranyl-pyridin-2-amine
MOLECULAR FORMULA: C5H4ClFN2
MOLECULAR WEIGHT: 146.550063
SMILES: C1=CC(=NC(=C1F)N)Cl
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Product OPENEYE NAME: 4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CAS Name: 4-methyl-N-(1-methyl-3-pyrazolyl)benzenesulfonamide
IUPAC NAME: 4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C11H13N3O2S
MOLECULAR WEIGHT: 251.30482
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)C
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Product OPENEYE NAME: 2-(2-benzyloxyethoxy)acetic acid
CAS Name: 2-(2-phenylmethoxyethoxy)acetic acid
IUPAC NAME: 2-(2-phenylmethoxyethoxy)acetic acid
SYSTEMATIC NAME: 2-(2-phenylmethoxyethoxy)ethanoic acid
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: C1=CC=C(C=C1)COCCOCC(=O)O
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Product OPENEYE NAME: N'-(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)-2-(2-benzyloxyethoxy)acetohydrazide
CAS Name: N'-(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)-2-(2-phenylmethoxyethoxy)acetohydrazide
IUPAC NAME: N'-(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)-2-(2-phenylmethoxyethoxy)acetohydrazide
SYSTEMATIC NAME: N'-(3-azanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)-2-(2-phenylmethoxyethoxy)ethanehydrazide
MOLECULAR FORMULA: C14H18N6O4
MOLECULAR WEIGHT: 334.33052
SMILES: C1=CC=C(C=C1)COCCOCC(=O)NNC2=NNC(=NC2=O)N
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Product OPENEYE NAME: 6-amino-3-(2-benzyloxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CAS Name: 6-amino-3-(2-phenylmethoxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
IUPAC NAME: 6-amino-3-(2-phenylmethoxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SYSTEMATIC NAME: 6-azanyl-3-(2-phenylmethoxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
MOLECULAR FORMULA: C14H16N6O3
MOLECULAR WEIGHT: 316.31524
SMILES: C1=CC=C(C=C1)COCCOCC2=NN=C3N2NC(=NC3=O)N
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Product OPENEYE NAME: 2-[2-[2-(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)hydrazino]-2-oxo-ethoxy]ethyl benzoate
CAS Name: benzoic acid 2-[2-[(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)hydrazo]-2-oxoethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)hydrazinyl]-2-oxoethoxy]ethyl benzoate
SYSTEMATIC NAME: 2-[2-[2-(3-azanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)hydrazinyl]-2-oxidanylidene-ethoxy]ethyl benzoate
MOLECULAR FORMULA: C14H16N6O5
MOLECULAR WEIGHT: 348.31404
SMILES: C1=CC=C(C=C1)C(=O)OCCOCC(=O)NNC2=NNC(=NC2=O)N
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Product OPENEYE NAME: 2-[(6-amino-8-oxo-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)methoxy]ethyl benzoate
CAS Name: benzoic acid 2-[(6-amino-8-oxo-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)methoxy]ethyl ester
IUPAC NAME: 2-[(6-amino-8-oxo-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)methoxy]ethyl benzoate
SYSTEMATIC NAME: 2-[(6-azanyl-8-oxidanylidene-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)methoxy]ethyl benzoate
MOLECULAR FORMULA: C14H14N6O4
MOLECULAR WEIGHT: 330.29876
SMILES: C1=CC=C(C=C1)C(=O)OCCOCC2=NN=C3N2NC(=NC3=O)N
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Product OPENEYE NAME: 2-amino-7-(2-hydroxyethoxymethyl)-1H-imidazo[5,1-f][1,2,4]triazin-4-one
CAS Name: 2-amino-7-(2-hydroxyethoxymethyl)-1H-imidazo[5,1-f][1,2,4]triazin-4-one
IUPAC NAME: 2-amino-7-(2-hydroxyethoxymethyl)-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SYSTEMATIC NAME: 2-azanyl-7-(2-hydroxyethyloxymethyl)-1H-imidazo[5,1-f][1,2,4]triazin-4-one
MOLECULAR FORMULA: C8H11N5O3
MOLECULAR WEIGHT: 225.20464
SMILES: C1=C2C(=O)N=C(NN2C(=N1)COCCO)N
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Product OPENEYE NAME: 6-amino-3-(2-hydroxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CAS Name: 6-amino-3-(2-hydroxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
IUPAC NAME: 6-amino-3-(2-hydroxyethoxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SYSTEMATIC NAME: 6-azanyl-3-(2-hydroxyethyloxymethyl)-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
MOLECULAR FORMULA: C7H10N6O3
MOLECULAR WEIGHT: 226.1927
SMILES: C(COCC1=NN=C2N1NC(=NC2=O)N)O
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Product OPENEYE NAME: ethyl 3-(dibenzylamino)-2-oxo-propanoate
CAS Name: 3-[bis(phenylmethyl)amino]-2-oxopropanoic acid ethyl ester
IUPAC NAME: ethyl 3-(dibenzylamino)-2-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[bis(phenylmethyl)amino]-2-oxidanylidene-propanoate
MOLECULAR FORMULA: C19H21NO3
MOLECULAR WEIGHT: 311.37494
SMILES: CCOC(=O)C(=O)CN(CC1=CC=CC=C1)CC2=CC=CC=C2
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Product OPENEYE NAME: ethyl (Z)-3-(dibenzylamino)-2-hydroxy-prop-2-enoate
CAS Name: (Z)-3-[bis(phenylmethyl)amino]-2-hydroxy-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(dibenzylamino)-2-hydroxyprop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-[bis(phenylmethyl)amino]-2-oxidanyl-prop-2-enoate
MOLECULAR FORMULA: C19H21NO3
MOLECULAR WEIGHT: 311.37494
SMILES: CCOC(=O)/C(=C/N(CC1=CC=CC=C1)CC2=CC=CC=C2)/O
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Product OPENEYE NAME: 3-amino-6-[(dibenzylamino)methyl]-2H-1,2,4-triazin-5-one
CAS Name: 3-amino-6-[[bis(phenylmethyl)amino]methyl]-2H-1,2,4-triazin-5-one
IUPAC NAME: 3-amino-6-[(dibenzylamino)methyl]-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 3-azanyl-6-[[bis(phenylmethyl)amino]methyl]-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C18H19N5O
MOLECULAR WEIGHT: 321.37636
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=NNC(=NC3=O)N
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Product OPENEYE NAME: 2-(2-benzoyloxyethoxy)acetic acid
CAS Name: 2-(2-benzoyloxyethoxy)acetic acid
IUPAC NAME: 2-(2-benzoyloxyethoxy)acetic acid
SYSTEMATIC NAME: 2-[2-(phenylcarbonyloxy)ethoxy]ethanoic acid
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: C1=CC=C(C=C1)C(=O)OCCOCC(=O)O
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Product OPENEYE NAME: 2-[2-[(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)methylamino]-2-oxo-ethoxy]ethyl benzoate
CAS Name: benzoic acid 2-[2-[(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)methylamino]-2-oxoethoxy]ethyl ester
IUPAC NAME: 2-[2-[(3-amino-5-oxo-2H-1,2,4-triazin-6-yl)methylamino]-2-oxoethoxy]ethyl benzoate
SYSTEMATIC NAME: 2-[2-[(3-azanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)methylamino]-2-oxidanylidene-ethoxy]ethyl benzoate
MOLECULAR FORMULA: C15H17N5O5
MOLECULAR WEIGHT: 347.32598
SMILES: C1=CC=C(C=C1)C(=O)OCCOCC(=O)NCC2=NNC(=NC2=O)N
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Product OPENEYE NAME: 2-[(2-amino-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)methoxy]ethyl benzoate
CAS Name: benzoic acid 2-[(2-amino-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)methoxy]ethyl ester
IUPAC NAME: 2-[(2-amino-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)methoxy]ethyl benzoate
SYSTEMATIC NAME: 2-[(2-azanyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)methoxy]ethyl benzoate
MOLECULAR FORMULA: C15H15N5O4
MOLECULAR WEIGHT: 329.3107
SMILES: C1=CC=C(C=C1)C(=O)OCCOCC2=NC=C3N2NC(=NC3=O)N
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