N-(butylcarbamoyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(butylcarbamoyl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(butylcarbamoyl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N4O2S2/c1-3-4-9-21-20(26)24-16(25)11-28-19-17-15(10-27-18(17)22-12-23-19)14-7-5-13(2)6-8-14/h5-8,10,12H,3-4,9,11H2,1-2H3,(H2,21,24,25,26)