6-iodanyl-3-phenyl-2-[(2-phenylazanylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 6-iodanyl-3-phenyl-2-[(2-phenylazanylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 2-[(2-anilinoquinazolin-4-yl)sulfanylmethyl]-6-iodo-3-phenyl-quinazolin-4-one CAS Name: 2-[[(2-anilino-4-quinazolinyl)thio]methyl]-6-iodo-3-phenyl-4-quinazolinone IUPAC Name: 2-[(2-anilinoquinazolin-4-yl)sulfanylmethyl]-6-iodo-3-phenylquinazolin-4-one Traditional Name: 2-[[(2-anilinoquinazolin-4-yl)thio]methyl]-6-iodo-3-phenyl-quinazolin-4-one Formula: C29H20IN5OS MolecularWeight: 613.47147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)SCC4=NC5=C(C=C(C=C5)I)C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)SCC4=NC5=C(C=C(C=C5)I)C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C29H20IN5OS/c30-19-15-16-25-23(17-19)28(36)35(21-11-5-2-6-12-21)26(32-25)18-37-27-22-13-7-8-14-24(22)33-29(34-27)31-20-9-3-1-4-10-20/h1-17H,18H2,(H,31,33,34)