2-[(6,7-dimethyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid

Systemtic Name: 2-[(6,7-dimethyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid Openeye Name: 2-[(6,7-dimethyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid CAS Name: 2-[(6,7-dimethyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid IUPAC Name: 2-[(6,7-dimethyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid Traditional Name: 2-[(4-keto-6,7-dimethyl-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1NC(=NC2=O)CC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1NC(=NC2=O)CC3=CC=CC=C3C(=O)O)C

InChI

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