7-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid

Systemtic Name: 7-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid Openeye Name: 7-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid CAS Name: 7-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid IUPAC Name: 7-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid Traditional Name: 7-butyl-2,4-diketo-1H-quinazoline-6-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)NC(=O)NC2=O)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)NC(=O)NC2=O)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-2-3-4-7-5-9-8(6-10(7)20(17,18)19)11(15)14-12(16)13-9/h5-6H,2-4H2,1H3,(H,17,18,19)(H2,13,14,15,16)