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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H22N4O2S/c31-24-19-12-4-6-14-21(19)27-23(29-24)17-33-26-28-22-15-7-5-13-20(22)25(32)30(26)16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15H,8,11,16-17H2,(H,27,29,31)