N-cyclohexyl-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(23-15-7-2-1-3-8-15)14-28-21-24-18-11-5-4-10-17(18)20(27)25(21)16-9-6-12-22-13-16/h4-6,9-13,15H,1-3,7-8,14H2,(H,23,26)