N-[(2-methoxypyridin-3-yl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(2-methoxypyridin-3-yl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(2-methoxy-3-pyridyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(2-methoxy-3-pyridinyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(2-methoxypyridin-3-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[(2-methoxy-3-pyridyl)methyl]hexanamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H24N4O3S/c1-28-19-15(8-7-12-22-19)14-23-18(26)11-3-2-6-13-25-20(27)16-9-4-5-10-17(16)24-21(25)29/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H,23,26)(H,24,29)