N-hexyl-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-hexyl-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-hexyl-2-[3-(6-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-hexyl-2-[[3-(6-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-hexyl-2-[3-(6-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-hexyl-2-[[4-keto-3-(6-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=N3)C

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=N3)C

InChI

InChI=1S/C22H26N4O2S/c1-3-4-5-8-14-23-20(27)15-29-22-25-18-12-7-6-11-17(18)21(28)26(22)19-13-9-10-16(2)24-19/h6-7,9-13H,3-5,8,14-15H2,1-2H3,(H,23,27)