2-[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate

Systemtic Name: 2-[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: 2-[6-methyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[6-methyl-5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: 2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N2O3S/c1-4-13(18(22)23)20-9-19-16-15(17(20)21)14(11(3)24-16)12-7-5-10(2)6-8-12/h5-9,13H,4H2,1-3H3,(H,22,23)/p-1