2,4-bis(oxidanylidene)-3-propyl-1H-quinazoline-8-sulfonic acid

Systemtic Name: 2,4-bis(oxidanylidene)-3-propyl-1H-quinazoline-8-sulfonic acid Openeye Name: 2,4-dioxo-3-propyl-1H-quinazoline-8-sulfonic acid CAS Name: 2,4-dioxo-3-propyl-1H-quinazoline-8-sulfonic acid IUPAC Name: 2,4-dioxo-3-propyl-1H-quinazoline-8-sulfonic acid Traditional Name: 2,4-diketo-3-propyl-1H-quinazoline-8-sulfonic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-2-6-13-10(14)7-4-3-5-8(19(16,17)18)9(7)12-11(13)15/h3-5H,2,6H2,1H3,(H,12,15)(H,16,17,18)