N-(3-methylpyridin-2-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(3-methylpyridin-2-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(3-methyl-2-pyridyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3-methyl-2-pyridinyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3-methylpyridin-2-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-methyl-2-pyridyl)hexanamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H22N4O2S/c1-14-8-7-12-21-18(14)23-17(25)11-3-2-6-13-24-19(26)15-9-4-5-10-16(15)22-20(24)27/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,22,27)(H,21,23,25)