N-(4-cyanophenyl)-2-(3,5-diethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-(3,5-diethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyanophenyl)-2-(3,5-diethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-cyanophenyl)-2-[(3,5-diethyl-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-(3,5-diethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-cyanophenyl)-2-[(3,5-diethyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)CC)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)CC)C

InChI

InChI=1S/C20H20N4O2S2/c1-4-15-12(3)28-18-17(15)19(26)24(5-2)20(23-18)27-11-16(25)22-14-8-6-13(10-21)7-9-14/h6-9H,4-5,11H2,1-3H3,(H,22,25)