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

Systemtic Name: N-(4-ethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-(3-isopentyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-4-27-16-7-5-15(6-8-16)22-18(25)13-29-21-23-17-10-12-28-19(17)20(26)24(21)11-9-14(2)3/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H,22,25)