Thursday, July 5, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (1'R,2R,3'S,4R,4'S)-4-(chloromethyl)-2',2',3'-trimethyl-spiro[1,3-dioxolane-2,5'-norbornane]
CAS Name: (1'R,2R,3'S,4R,4'S)-4-(chloromethyl)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
IUPAC NAME: (1'R,2R,3'S,4R,4'S)-4-(chloromethyl)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
SYSTEMATIC NAME: (1'R,2R,3'S,4R,4'S)-4-(chloromethyl)-2',2',3'-trimethyl-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
MOLECULAR FORMULA: C13H21ClO2
MOLECULAR WEIGHT: 244.75764
SMILES: C[C@H]1[C@@H]2C[C@@H](C1(C)C)C[C@]23OC[C@@H](O3)CCl
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MOLECULAR FORMULA: C16H18ClNO
MOLECULAR WEIGHT: 275.77322
SMILES: CC1=C(C=C(C=C1)NC(=O)C2[C@H]3[C@@H]2[C@@H]4CC[C@@H]3C4)Cl
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Product OPENEYE NAME: (1R,2R,5R)-2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
CAS Name: (1R,2R,5R)-2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
IUPAC NAME: (1R,2R,5R)-2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SYSTEMATIC NAME: (1R,2R,5R)-2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
MOLECULAR FORMULA: C16H17F3N2O3S
MOLECULAR WEIGHT: 374.37799
SMILES: C[C@H]1CCC2=C(C1)C(=NC(=N2)S[C@@H]3CC(=O)[C@@H]4OC[C@H]3O4)C(F)(F)F
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MOLECULAR FORMULA: C20H20O2
MOLECULAR WEIGHT: 292.3716
SMILES: C1CC12[C@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)[C@H]5[C@@H]6C=C[C@@H]([C@H]5C4=O)C67CC7
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MOLECULAR FORMULA: C20H19NO8
MOLECULAR WEIGHT: 401.36676
SMILES: CC(=O)OC([C@]12C=C[C@@H](O1)[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC)OC(=O)C
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MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3C(=O)[C@@H]4[C@H]5C[C@H]([C@@H]4C3=O)C=C5
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MOLECULAR FORMULA: C23H17F3N2O3
MOLECULAR WEIGHT: 426.38789
SMILES: C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4NC(=O)C5=CC=C(C=C5)C(F)(F)F
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MOLECULAR FORMULA: C18H20FN3O
MOLECULAR WEIGHT: 313.369303
SMILES: C[C@@]12CC[C@H]3[C@@]1(CN([C@]2(C3)C#N)NC(=O)C4=CC=CC=C4F)C
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MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C[C@@]12CC[C@H]3[C@@]1(CN([C@]2(C3)C#N)C(=O)C4=CC(=C(C=C4)OC)OC)C
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MOLECULAR FORMULA: C16H12Cl2N2O3
MOLECULAR WEIGHT: 351.18408
SMILES: C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)NC(=O)C4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 2-(N-(4-chlorophenyl)sulfonyl-2-methyl-anilino)-N-[(1R,2R,4R)-norbornan-2-yl]acetamide
CAS Name: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
IUPAC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
SYSTEMATIC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-[(4-chlorophenyl)sulfonyl-(2-methylphenyl)amino]ethanamide
MOLECULAR FORMULA: C22H25ClN2O3S
MOLECULAR WEIGHT: 432.9635
SMILES: CC1=CC=CC=C1N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (1S,2S,5R)-2-[4-(2-hydroxyphenyl)-5-thioxo-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
CAS Name: (1S,2S,5R)-2-[4-(2-hydroxyphenyl)-5-sulfanylidene-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
IUPAC NAME: (1S,2S,5R)-2-[4-(2-hydroxyphenyl)-5-sulfanylidenetetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
SYSTEMATIC NAME: (1S,2S,5R)-2-[4-(2-hydroxyphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
MOLECULAR FORMULA: C13H12N4O4S
MOLECULAR WEIGHT: 320.32378
SMILES: C1[C@@H]([C@H]2CO[C@@H](C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC=C4O
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Product OPENEYE NAME: 2-[4-ethyl-N-(p-tolylsulfonyl)anilino]-N-[(1S,2S,4S)-norbornan-2-yl]acetamide
CAS Name: N-[(1S,3S,4S)-3-bicyclo[2.2.1]heptanyl]-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
IUPAC NAME: N-[(1S,3S,4S)-3-bicyclo[2.2.1]heptanyl]-2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SYSTEMATIC NAME: N-[(1S,3S,4S)-3-bicyclo[2.2.1]heptanyl]-2-[(4-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide
MOLECULAR FORMULA: C24H30N2O3S
MOLECULAR WEIGHT: 426.5716
SMILES: CCC1=CC=C(C=C1)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=C(C=C4)C
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