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

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 3-[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 3-[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 3-[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C16H14N2O3S/c1-9-10(2)22-14-13(9)15(19)18(8-17-14)7-11-4-3-5-12(6-11)16(20)21/h3-6,8H,7H2,1-2H3,(H,20,21)