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

Systemtic Name: 4-[[(2-oxidanylidene-1H-thieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-oxo-1H-thieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-oxo-1H-thieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-oxo-1H-thieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-keto-1H-thieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=O)NC3=C2SC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=O)NC3=C2SC=C3)C(=O)O

InChI

InChI=1S/C14H11N3O3S/c18-13(19)9-3-1-8(2-4-9)7-15-12-11-10(5-6-21-11)16-14(20)17-12/h1-6H,7H2,(H,18,19)(H2,15,16,17,20)