4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid CAS Name: 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CSC3=C2C(=O)NC(=N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CSC3=C2C(=O)NC(=N3)N)C(=O)O

InChI

InChI=1S/C15H13N3O3S/c16-15-17-12(19)11-10(7-22-13(11)18-15)6-3-8-1-4-9(5-2-8)14(20)21/h1-2,4-5,7H,3,6H2,(H,20,21)(H3,16,17,18,19)