N-butyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-butyl-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-butyl-acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-4-6-11-23-18(26)14-29-22-24-20-19(21(27)25(22)12-5-2)17(13-28-20)16-9-7-15(3)8-10-16/h5,7-10,13H,2,4,6,11-12,14H2,1,3H3,(H,23,26)