2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CN3)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CN3)CCCO

InChI

InChI=1S/C17H17N3O3S/c21-10-4-9-20-16(23)12-5-1-2-6-13(12)19-17(20)24-11-15(22)14-7-3-8-18-14/h1-3,5-8,18,21H,4,9-11H2