3-(2-methylpropyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-sulfonic acid

Systemtic Name: 3-(2-methylpropyl)-2,4-bis(oxidanylidene)-1H-quinazoline-7-sulfonic acid Openeye Name: 3-isobutyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid CAS Name: 3-(2-methylpropyl)-2,4-dioxo-1H-quinazoline-7-sulfonic acid IUPAC Name: 3-(2-methylpropyl)-2,4-dioxo-1H-quinazoline-7-sulfonic acid Traditional Name: 3-isobutyl-2,4-diketo-1H-quinazoline-7-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)S(=O)(=O)O)NC1=O

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)S(=O)(=O)O)NC1=O

InChI

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