2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 3-(2-isopropylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-o-cumenyl-quinazolin-4-one Formula: C26H22N4O2S MolecularWeight: 454.54348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H22N4O2S/c1-16(2)17-9-5-8-14-22(17)30-25(32)19-11-4-7-13-21(19)28-26(30)33-15-23-27-20-12-6-3-10-18(20)24(31)29-23/h3-14,16H,15H2,1-2H3,(H,27,29,31)