Tuesday, March 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 8-(4-chlorophenoxy)-7-isobutyl-1,3-dimethyl-purine-2,6-dione
CAS Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
IUPAC NAME: 8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
SYSTEMATIC NAME: 8-(4-chloranylphenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C17H19ClN4O3
MOLECULAR WEIGHT: 362.81076
SMILES: CC(C)CN1C2=C(N=C1OC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: 1,3,7-trimethyl-8-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)oxyphenoxy]purine-2,6-dione
CAS Name: 1,3,7-trimethyl-8-[3-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)oxy]phenoxy]purine-2,6-dione
IUPAC NAME: 1,3,7-trimethyl-8-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)oxyphenoxy]purine-2,6-dione
SYSTEMATIC NAME: 1,3,7-trimethyl-8-[3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxyphenoxy]purine-2,6-dione
MOLECULAR FORMULA: C22H22N8O6
MOLECULAR WEIGHT: 494.46008
SMILES: CN1C2=C(N=C1OC3=CC(=CC=C3)OC4=NC5=C(N4C)C(=O)N(C(=O)N5C)C)N(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: 2-[[7-methyl-2-(1-piperidyl)-3-quinolyl]methylene]propanedinitrile
CAS Name: 2-[[7-methyl-2-(1-piperidinyl)-3-quinolinyl]methylidene]propanedinitrile
IUPAC NAME: 2-[(7-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(7-methyl-2-piperidin-1-yl-quinolin-3-yl)methylidene]propanedinitrile
MOLECULAR FORMULA: C19H18N4
MOLECULAR WEIGHT: 302.37302
SMILES: CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C#N)N3CCCCC3
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Product OPENEYE NAME: (Z)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholino-3-quinolyl)prop-2-enenitrile
CAS Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[7-methyl-2-(4-morpholinyl)-3-quinolinyl]-2-propenenitrile
IUPAC NAME: (Z)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-yl-quinolin-3-yl)prop-2-enenitrile
MOLECULAR FORMULA: C25H25N3O3
MOLECULAR WEIGHT: 415.4843
SMILES: CC1=CC2=NC(=C(C=C2C=C1)/C=C(\C#N)/C3=CC(=C(C=C3)OC)OC)N4CCOCC4
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Product OPENEYE NAME: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholino-3-quinolyl)prop-2-enenitrile
CAS Name: (E)-2-(3,4-dimethoxyphenyl)-3-[7-methyl-2-(4-morpholinyl)-3-quinolinyl]-2-propenenitrile
IUPAC NAME: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-yl-quinolin-3-yl)prop-2-enenitrile
MOLECULAR FORMULA: C25H25N3O3
MOLECULAR WEIGHT: 415.4843
SMILES: CC1=CC2=NC(=C(C=C2C=C1)/C=C(/C#N)\C3=CC(=C(C=C3)OC)OC)N4CCOCC4
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Product OPENEYE NAME: 2-(dimethylamino)quinoline-3-carbaldehyde
CAS Name: 2-(dimethylamino)-3-quinolinecarboxaldehyde
IUPAC NAME: 2-(dimethylamino)quinoline-3-carbaldehyde
SYSTEMATIC NAME: 2-(dimethylamino)quinoline-3-carbaldehyde
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CN(C)C1=NC2=CC=CC=C2C=C1C=O
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Product OPENEYE NAME: 2-chloro-3-(1,3-dioxolan-2-yl)-8-methyl-quinoline
CAS Name: 2-chloro-3-(1,3-dioxolan-2-yl)-8-methylquinoline
IUPAC NAME: 2-chloro-3-(1,3-dioxolan-2-yl)-8-methylquinoline
SYSTEMATIC NAME: 2-chloranyl-3-(1,3-dioxolan-2-yl)-8-methyl-quinoline
MOLECULAR FORMULA: C13H12ClNO2
MOLECULAR WEIGHT: 249.69288
SMILES: CC1=CC=CC2=CC(=C(N=C12)Cl)C3OCCO3
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Product OPENEYE NAME: (2S)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CAS Name: (2S)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
IUPAC NAME: (2S)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
SYSTEMATIC NAME: (2S)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: C1CCC2=C(C1)C3=C(N=CN=C3S2)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O
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Product OPENEYE NAME: (2R)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CAS Name: (2R)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
IUPAC NAME: (2R)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
SYSTEMATIC NAME: (2R)-3-(1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: C1CCC2=C(C1)C3=C(N=CN=C3S2)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O
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Product OPENEYE NAME: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2S)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: CC1=C(SC2=NC=NC(=C12)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)C
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Product OPENEYE NAME: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2R)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: CC1=C(SC2=NC=NC(=C12)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)C
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Product OPENEYE NAME: (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2S)-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: CCC1=CC2=C(N=CN=C2S1)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O
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Product OPENEYE NAME: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2R)-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: CCC1=CC2=C(N=CN=C2S1)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: C1CC2=C(C1)SC3=NC=NC(=C23)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: C1CC2=C(C1)SC3=NC=NC(=C23)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O
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Product OPENEYE NAME: 3-[(2-benzyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CAS Name: 3-[[2-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propanoic acid
IUPAC NAME: 3-[(2-benzyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propanoic acid
SYSTEMATIC NAME: 3-[[2-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propanoic acid
MOLECULAR FORMULA: C20H21N3O2S
MOLECULAR WEIGHT: 367.46464
SMILES: C1CCC2=C(C1)C3=C(N=C(N=C3S2)CC4=CC=CC=C4)NCCC(=O)O
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Product OPENEYE NAME: (2S)-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H21N3O2S
MOLECULAR WEIGHT: 367.46464
SMILES: CC1=NC(=C2C3=C(CCCC3)SC2=N1)N[C@@H](CC4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (2R)-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoic acid
CAS Name: (2R)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
IUPAC NAME: (2R)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H21N3O2S
MOLECULAR WEIGHT: 367.46464
SMILES: CC1=NC(=C2C3=C(CCCC3)SC2=N1)N[C@H](CC4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (2S)-3-phenyl-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CAS Name: (2S)-3-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
IUPAC NAME: (2S)-3-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
SYSTEMATIC NAME: (2S)-3-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: C1CCC2=C(C1)C3=C(N=CN=C3S2)N[C@@H](CC4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (2R)-3-phenyl-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CAS Name: (2R)-3-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
IUPAC NAME: (2R)-3-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
SYSTEMATIC NAME: (2R)-3-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: C1CCC2=C(C1)C3=C(N=CN=C3S2)N[C@H](CC4=CC=CC=C4)C(=O)O
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