N-(3-methylbutylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S2/c1-13(2)8-9-21-20(26)24-17(25)11-27-18-15-10-16(14-6-4-3-5-7-14)28-19(15)23-12-22-18/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,21,24,25,26)