3-tert-butyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 3-tert-butyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-tert-butyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-tert-butyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-tert-butyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-tert-butyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

InChI

InChI=1S/C13H14N2O3S/c1-13(2,3)15-10(16)8-5-4-7(11(17)18)6-9(8)14-12(15)19/h4-6H,1-3H3,(H,14,19)(H,17,18)