3-(4,6-dimethoxypyrimidin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4,6-dimethoxy-2-pyrimidinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=O)C3=C(C=C(C=C3)C(=O)N)NC2=S)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=O)C3=C(C=C(C=C3)C(=O)N)NC2=S)OC

InChI

InChI=1S/C15H13N5O4S/c1-23-10-6-11(24-2)19-14(18-10)20-13(22)8-4-3-7(12(16)21)5-9(8)17-15(20)25/h3-6H,1-2H3,(H2,16,21)(H,17,25)