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

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O2S/c1-2-11-24-19(26)14-8-4-6-10-16(14)22-20(24)27-12-17-21-15-9-5-3-7-13(15)18(25)23-17/h3-10H,2,11-12H2,1H3,(H,21,23,25)