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

Systemtic Name: 3-[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[6-methyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[6-methyl-5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CCC(=O)[O-])C

InChI

InChI=1S/C17H16N2O3S/c1-10-3-5-12(6-4-10)14-11(2)23-16-15(14)17(22)19(9-18-16)8-7-13(20)21/h3-6,9H,7-8H2,1-2H3,(H,20,21)/p-1