5-(2-methylpropyl)-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid

Systemtic Name: 5-(2-methylpropyl)-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid Openeye Name: 5-isobutyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid CAS Name: 5-(2-methylpropyl)-2,4-dioxo-1H-quinazoline-6-sulfonic acid IUPAC Name: 5-(2-methylpropyl)-2,4-dioxo-1H-quinazoline-6-sulfonic acid Traditional Name: 5-isobutyl-2,4-diketo-1H-quinazoline-6-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC2=C1C(=O)NC(=O)N2)S(=O)(=O)O

Isomeric SMILES

CC(C)CC1=C(C=CC2=C1C(=O)NC(=O)N2)S(=O)(=O)O

InChI

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