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

Systemtic Name: 2-hexylsulfanyl-6-iodanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-hexylsulfanyl-6-iodo-quinazolin-4-one CAS Name: 2-(hexylthio)-6-iodo-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-hexylsulfanyl-6-iodoquinazolin-4-one Traditional Name: 3-benzyl-2-(hexylthio)-6-iodo-quinazolin-4-one Formula: C21H23IN2OS MolecularWeight: 478.38959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H23IN2OS/c1-2-3-4-8-13-26-21-23-19-12-11-17(22)14-18(19)20(25)24(21)15-16-9-6-5-7-10-16/h5-7,9-12,14H,2-4,8,13,15H2,1H3