N-[4-(cyanomethyl)phenyl]-2-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(5-methyl-4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)CC#N)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)CC#N)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S2/c1-3-15-30-25(32)22-17(2)23(19-7-5-4-6-8-19)34-24(22)29-26(30)33-16-21(31)28-20-11-9-18(10-12-20)13-14-27/h3-12H,1,13,15-16H2,2H3,(H,28,31)