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

Systemtic Name: 4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-propyl-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

InChI

InChI=1S/C12H12N2O3S/c1-2-5-14-10(15)8-4-3-7(11(16)17)6-9(8)13-12(14)18/h3-4,6H,2,5H2,1H3,(H,13,18)(H,16,17)