N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=CS3)C

InChI

InChI=1S/C19H18N4OS2/c1-13-8-14(2)10-15(9-13)23(6-3-5-20)17(24)11-26-19-16-4-7-25-18(16)21-12-22-19/h4,7-10,12H,3,6,11H2,1-2H3