(3-tert-butylphenyl) 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate

Systemtic Name: (3-tert-butylphenyl) 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate Openeye Name: (3-tert-butylphenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate CAS Name: 2,4-dioxo-1H-quinazoline-6-sulfonic acid (3-tert-butylphenyl) ester IUPAC Name: (3-tert-butylphenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate Traditional Name: 2,4-diketo-1H-quinazoline-6-sulfonic acid (3-tert-butylphenyl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O

InChI

InChI=1S/C18H18N2O5S/c1-18(2,3)11-5-4-6-12(9-11)25-26(23,24)13-7-8-15-14(10-13)16(21)20-17(22)19-15/h4-10H,1-3H3,(H2,19,20,21,22)