2-[3-(3-methylbutyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-15(2)9-12-24-20(26)19-17(10-13-27-19)23-21(24)28-14-18(25)22-11-8-16-6-4-3-5-7-16/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,22,25)