3-butyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-butyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-butyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-butyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-butyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

InChI

InChI=1S/C13H14N2O3S/c1-2-3-6-15-11(16)9-5-4-8(12(17)18)7-10(9)14-13(15)19/h4-5,7H,2-3,6H2,1H3,(H,14,19)(H,17,18)