Monday, November 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-chloro-N-[(3-chloro-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]benzenesulfonamide
CAS Name: 4-chloro-N-[(3-chloro-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]benzenesulfonamide
IUPAC NAME: 4-chloro-N-[(3-chloro-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-[(3-chloranyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]benzenesulfonamide
MOLECULAR FORMULA: C17H17Cl2NO3S3
MOLECULAR WEIGHT: 450.42278
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)S(=NS(=O)(=O)C3=CC=C(C=C3)Cl)C)Cl)C
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Product OPENEYE NAME: imino-methyl-[3-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
CAS Name: imino-methyl-[3-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
IUPAC NAME: imino-methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
SYSTEMATIC NAME: azanylidene-methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfane; 2,4,6-trimethylbenzenesulfonic acid
MOLECULAR FORMULA: C16H19F3N2O3S2
MOLECULAR WEIGHT: 408.45887
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)C1=C(C=CC=N1)C(F)(F)F
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Product OPENEYE NAME: imino-methyl-[3-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfane
CAS Name: imino-methyl-[3-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfane
IUPAC NAME: imino-methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfane
SYSTEMATIC NAME: azanylidene-methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfane
MOLECULAR FORMULA: C7H7F3N2S
MOLECULAR WEIGHT: 208.20409
SMILES: CS(=N)C1=C(C=CC=N1)C(F)(F)F
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Product OPENEYE NAME: methyl 3-methyl-2-thioxo-1H-imidazole-4-carboxylate
CAS Name: 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester
IUPAC NAME: methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate
SYSTEMATIC NAME: methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate
MOLECULAR FORMULA: C6H8N2O2S
MOLECULAR WEIGHT: 172.20492
SMILES: CN1C(=CNC1=S)C(=O)OC
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Product OPENEYE NAME: (E)-2-(4-methoxybenzoyl)-3-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridyl]-$l^{6}-sulfanylidene]amino]prop-2-enenitrile
CAS Name: (E)-2-[(4-methoxyphenyl)-oxomethyl]-3-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-$l^{6}-sulfanylidene]amino]-2-propenenitrile
IUPAC NAME: (E)-2-(4-methoxybenzoyl)-3-[[methyl-oxo-[5-(trifluoromethyl)pyridin-2-yl]-$l^{6}-sulfanylidene]amino]prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-methoxyphenyl)carbonyl-3-[[methyl-oxidanylidene-[5-(trifluoromethyl)pyridin-2-yl]-$l^{6}-sulfanylidene]amino]prop-2-enenitrile
MOLECULAR FORMULA: C18H14F3N3O3S
MOLECULAR WEIGHT: 409.38227
SMILES: COC1=CC=C(C=C1)C(=O)/C(=C/N=S(=O)(C)C2=NC=C(C=C2)C(F)(F)F)/C#N
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Product OPENEYE NAME: N-[methyl-[3-(trifluoromethyl)-2-pyridyl]-$l^{4}-sulfanylidene]benzenesulfonamide
CAS Name: N-[methyl-[3-(trifluoromethyl)-2-pyridinyl]-$l^{4}-sulfanylidene]benzenesulfonamide
IUPAC NAME: N-[methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]benzenesulfonamide
SYSTEMATIC NAME: N-[methyl-[3-(trifluoromethyl)pyridin-2-yl]-$l^{4}-sulfanylidene]benzenesulfonamide
MOLECULAR FORMULA: C13H11F3N2O2S2
MOLECULAR WEIGHT: 348.36385
SMILES: CS(=NS(=O)(=O)C1=CC=CC=C1)C2=C(C=CC=N2)C(F)(F)F
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Product OPENEYE NAME: 5,7-bis(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 5,7-bis(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 5,7-bis(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C17H8F9N5OS
MOLECULAR WEIGHT: 501.328949
SMILES: C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: N-[(4-fluorophenyl)carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[(4-fluoroanilino)-sulfanylidenemethyl]-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: N-[(4-fluorophenyl)carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C16H8F7N5OS
MOLECULAR WEIGHT: 451.321442
SMILES: C1=CC(=CC=C1NC(=S)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)F
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Product OPENEYE NAME: N-[(2-chlorophenyl)carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[(2-chloroanilino)-sulfanylidenemethyl]-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: N-[(2-chlorophenyl)carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-[(2-chlorophenyl)carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C16H8ClF6N5OS
MOLECULAR WEIGHT: 467.776039
SMILES: C1=CC=C(C(=C1)NC(=S)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)Cl
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Product OPENEYE NAME: N-[[(4-chlorophenyl)-methyl-oxo-$l^{6}-sulfanylidene]carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[[[(4-chlorophenyl)-methyl-oxo-$l^{6}-sulfanylidene]amino]-sulfanylidenemethyl]-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: N-[[(4-chlorophenyl)-methyl-oxo-$l^{6}-sulfanylidene]carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-[[(4-chlorophenyl)-methyl-oxidanylidene-$l^{6}-sulfanylidene]carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C17H10ClF6N5O2S2
MOLECULAR WEIGHT: 529.867019
SMILES: CS(=NC(=S)NC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C(F)(F)F)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[[methyl-oxo-(p-tolyl)-$l^{6}-sulfanylidene]carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[[[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]amino]-sulfanylidenemethyl]-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: N-[[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-[[methyl-(4-methylphenyl)-oxidanylidene-$l^{6}-sulfanylidene]carbamothioyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C18H13F6N5O2S2
MOLECULAR WEIGHT: 509.448539
SMILES: CC1=CC=C(C=C1)S(=NC(=S)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)(=O)C
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Product OPENEYE NAME: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylate
CAS Name: 2-[(4-chlorophenyl)methylthio]-3-methyl-4-imidazolecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylate
MOLECULAR FORMULA: C13H13ClN2O2S
MOLECULAR WEIGHT: 296.77252
SMILES: CN1C(=CN=C1SCC2=CC=C(C=C2)Cl)C(=O)OC
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Product OPENEYE NAME: 6-(2,2-dimethylchroman-6-yl)-1H-pyrimidine-2-thione
CAS Name: 6-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-1H-pyrimidine-2-thione
IUPAC NAME: 6-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C3=CC=NC(=S)N3)C
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Product OPENEYE NAME: 2-[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]tetrazol-2-yl]-N-[(4-chlorophenyl)methyleneamino]acetamide
CAS Name: 2-[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-tetrazolyl]-N-[(4-chlorophenyl)methylideneamino]acetamide
IUPAC NAME: 2-[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]tetrazol-2-yl]-N-[(4-chlorophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,2,3,4-tetrazol-2-yl]-N-[(4-chlorophenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C16H16BrClN8O
MOLECULAR WEIGHT: 451.70824
SMILES: CC1=C(C(=NN1CC2=NN(N=N2)CC(=O)NN=CC3=CC=C(C=C3)Cl)C)Br
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Product OPENEYE NAME: 1-[(3-chloro-7-oxo-5,6-dihydro-4H-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
CAS Name: 1-[(3-chloro-7-oxo-5,6-dihydro-4H-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
IUPAC NAME: 1-[(3-chloro-7-oxo-5,6-dihydro-4H-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
SYSTEMATIC NAME: 1-[(3-chloranyl-7-oxidanylidene-5,6-dihydro-4H-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C16H14Cl2N2O2S2
MOLECULAR WEIGHT: 401.33056
SMILES: CS(=NC(=O)NC1=CC=C(C=C1)Cl)C2=C3C(=C(S2)Cl)CCCC3=O
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Product OPENEYE NAME: 4-chloro-N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]benzenesulfonamide
CAS Name: 4-chloro-N-[4-[(4-chlorophenyl)-oxomethyl]-1,4-thiazinan-1-ylidene]benzenesulfonamide
IUPAC NAME: 4-chloro-N-[4-(4-chlorobenzoyl)-1,4-thiazinan-1-ylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-(4-chlorophenyl)carbonyl-1,4-thiazinan-1-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C17H16Cl2N2O3S2
MOLECULAR WEIGHT: 431.35654
SMILES: C1CS(=NS(=O)(=O)C2=CC=C(C=C2)Cl)CCN1C(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methylsulfanyl]-4-(2,2-dimethylchroman-6-yl)pyrimidine
CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)pyrimidine
IUPAC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine
MOLECULAR FORMULA: C22H21ClN2OS
MOLECULAR WEIGHT: 396.93294
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: 1-[(3-chloro-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
CAS Name: 1-[(3-chloro-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
IUPAC NAME: 1-[(3-chloro-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
SYSTEMATIC NAME: 1-[(3-chloranyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)-methyl-$l^{4}-sulfanylidene]-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C18H18Cl2N2O2S2
MOLECULAR WEIGHT: 429.38372
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)S(=NC(=O)NC3=CC=C(C=C3)Cl)C)Cl)C
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Product OPENEYE NAME: 3-oxo-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile
CAS Name: 3-oxo-3-[3-[[[3-(trifluoromethyl)phenyl]thio]methyl]phenyl]propanenitrile
IUPAC NAME: 3-oxo-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile
SYSTEMATIC NAME: 3-oxidanylidene-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile
MOLECULAR FORMULA: C17H12F3NOS
MOLECULAR WEIGHT: 335.34349
SMILES: C1=CC(=CC(=C1)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)CC#N
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Product OPENEYE NAME: 2-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone
CAS Name: 2-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]-1-phenylethanone
IUPAC NAME: 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone
MOLECULAR FORMULA: C23H22N2O2S
MOLECULAR WEIGHT: 390.49798
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4)C
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Product OPENEYE NAME: 1-(4-chlorophenyl)-2-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanyl-ethanone
CAS Name: 1-(4-chlorophenyl)-2-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]ethanone
IUPAC NAME: 1-(4-chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanone
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanyl-ethanone
MOLECULAR FORMULA: C23H21ClN2O2S
MOLECULAR WEIGHT: 424.94304
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)C4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: methyl 2-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanylacetate
CAS Name: 2-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]acetic acid methyl ester
IUPAC NAME: methyl 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylacetate
SYSTEMATIC NAME: methyl 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanoate
MOLECULAR FORMULA: C18H20N2O3S
MOLECULAR WEIGHT: 344.428
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)OC)C
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Product OPENEYE NAME: 4-(2,2-dimethylchroman-6-yl)-2-ethylsulfanyl-pyrimidine
CAS Name: 4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-(ethylthio)pyrimidine
IUPAC NAME: 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-ethylsulfanylpyrimidine
SYSTEMATIC NAME: 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-ethylsulfanyl-pyrimidine
MOLECULAR FORMULA: C17H20N2OS
MOLECULAR WEIGHT: 300.4185
SMILES: CCSC1=NC=CC(=N1)C2=CC3=C(C=C2)OC(CC3)(C)C
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