4-[(4-oxidanylidenequinazolin-3-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-oxidanylidenequinazolin-3-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-oxoquinazolin-3-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-oxo-3-quinazolinyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-oxoquinazolin-3-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-ketoquinazolin-3-yl)methyl]thiazole-2-carboxylic acid Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C13H9N3O3S/c17-12-9-3-1-2-4-10(9)14-7-16(12)5-8-6-20-11(15-8)13(18)19/h1-4,6-7H,5H2,(H,18,19)