N-(2-chloranylpyridin-3-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-13(2)9-11-25-19(27)14-6-3-4-7-15(14)24-20(25)28-12-17(26)23-16-8-5-10-22-18(16)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,26)