3-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 3-[(4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 3-[(4-ketothieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C=CS3)C(=O)O

InChI

InChI=1S/C14H10N2O3S/c17-13-11-4-5-20-12(11)15-8-16(13)7-9-2-1-3-10(6-9)14(18)19/h1-6,8H,7H2,(H,18,19)