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

Systemtic Name: 2-[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 2-[6-methyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 2-[6-methyl-5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 2-[4-keto-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)O)C

InChI

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