1-butyl-2,4-bis(oxidanylidene)quinazoline-8-sulfonic acid

Systemtic Name: 1-butyl-2,4-bis(oxidanylidene)quinazoline-8-sulfonic acid Openeye Name: 1-butyl-2,4-dioxo-quinazoline-8-sulfonic acid CAS Name: 1-butyl-2,4-dioxo-8-quinazolinesulfonic acid IUPAC Name: 1-butyl-2,4-dioxoquinazoline-8-sulfonic acid Traditional Name: 1-butyl-2,4-diketo-quinazoline-8-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=C2S(=O)(=O)O)C(=O)NC1=O

Isomeric SMILES

CCCCN1C2=C(C=CC=C2S(=O)(=O)O)C(=O)NC1=O

InChI

InChI=1S/C12H14N2O5S/c1-2-3-7-14-10-8(11(15)13-12(14)16)5-4-6-9(10)20(17,18)19/h4-6H,2-3,7H2,1H3,(H,13,15,16)(H,17,18,19)