6-iodanyl-2-(3-methylbutylsulfanyl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-(3-methylbutylsulfanyl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-isopentylsulfanyl-quinazolin-4-one CAS Name: 6-iodo-2-(3-methylbutylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-(3-methylbutylsulfanyl)quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-(isoamylthio)quinazolin-4-one Formula: C20H21IN2OS MolecularWeight: 464.36301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H21IN2OS/c1-14(2)10-11-25-20-22-18-9-8-16(21)12-17(18)19(24)23(20)13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3