1-(2-methylpropyl)-2,4-bis(oxidanylidene)quinazoline-5-sulfonic acid

Systemtic Name: 1-(2-methylpropyl)-2,4-bis(oxidanylidene)quinazoline-5-sulfonic acid Openeye Name: 1-isobutyl-2,4-dioxo-quinazoline-5-sulfonic acid CAS Name: 1-(2-methylpropyl)-2,4-dioxo-5-quinazolinesulfonic acid IUPAC Name: 1-(2-methylpropyl)-2,4-dioxoquinazoline-5-sulfonic acid Traditional Name: 1-isobutyl-2,4-diketo-quinazoline-5-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=CC=C2)S(=O)(=O)O)C(=O)NC1=O

Isomeric SMILES

CC(C)CN1C2=C(C(=CC=C2)S(=O)(=O)O)C(=O)NC1=O

InChI

InChI=1S/C12H14N2O5S/c1-7(2)6-14-8-4-3-5-9(20(17,18)19)10(8)11(15)13-12(14)16/h3-5,7H,6H2,1-2H3,(H,13,15,16)(H,17,18,19)