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

Systemtic Name: 6-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-8-sulfonic acid Openeye Name: 6-butyl-2,4-dioxo-1H-quinazoline-8-sulfonic acid CAS Name: 6-butyl-2,4-dioxo-1H-quinazoline-8-sulfonic acid IUPAC Name: 6-butyl-2,4-dioxo-1H-quinazoline-8-sulfonic acid Traditional Name: 6-butyl-2,4-diketo-1H-quinazoline-8-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)C(=O)NC(=O)N2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)C(=O)NC(=O)N2)S(=O)(=O)O

InChI

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