2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N4O3S/c1-13(18-22-16-9-4-2-7-14(16)19(27)24-18)29-21-23-17-10-5-3-8-15(17)20(28)25(21)11-6-12-26/h2-5,7-10,13,26H,6,11-12H2,1H3,(H,22,24,27)