N-(5-chloranylpyridin-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC=C(C=C3)Cl)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC=C(C=C3)Cl)CCCO

InChI

InChI=1S/C18H17ClN4O3S/c19-12-6-7-15(20-10-12)22-16(25)11-27-18-21-14-5-2-1-4-13(14)17(26)23(18)8-3-9-24/h1-2,4-7,10,24H,3,8-9,11H2,(H,20,22,25)