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

Systemtic Name: 8-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid Openeye Name: 8-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid CAS Name: 8-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid IUPAC Name: 8-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid Traditional Name: 8-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=C2C(=CC(=C1)S(=O)(=O)O)C(=O)NC(=O)N2

Isomeric SMILES

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

InChI

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