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

Systemtic Name: 3-azanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-amino-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-amino-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-amino-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-amino-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C9H7N3O3S MolecularWeight: 237.23518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=S)N(C2=O)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=S)N(C2=O)N

InChI

InChI=1S/C9H7N3O3S/c10-12-7(13)5-2-1-4(8(14)15)3-6(5)11-9(12)16/h1-3H,10H2,(H,11,16)(H,14,15)