N-[4-(azepan-1-yl)phenyl]-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4)SC=C2

InChI

InChI=1S/C21H24N4O2S2/c1-24-20(27)17-10-13-28-19(17)23-21(24)29-14-18(26)22-15-6-8-16(9-7-15)25-11-4-2-3-5-12-25/h6-10,13H,2-5,11-12,14H2,1H3,(H,22,26)