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

Systemtic Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-oxidanylidene-N-(piperidin-4-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-oxo-N-(4-piperidylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4,6-dimethoxy-2-pyrimidinyl)-4-oxo-N-(4-piperidinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-oxo-N-(piperidin-4-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-keto-N-(4-piperidylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCNCC4)NC2=S)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCNCC4)NC2=S)OC

InChI

InChI=1S/C21H24N6O4S/c1-30-16-10-17(31-2)26-20(25-16)27-19(29)14-4-3-13(9-15(14)24-21(27)32)18(28)23-11-12-5-7-22-8-6-12/h3-4,9-10,12,22H,5-8,11H2,1-2H3,(H,23,28)(H,24,32)