2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid Openeye Name: 2-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butanoic acid CAS Name: 2-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid Traditional Name: 2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H16N2O3S/c1-3-13(17(21)22)19-9-18-15-14(16(19)20)12(8-23-15)11-6-4-10(2)5-7-11/h4-9,13H,3H2,1-2H3,(H,21,22)