3-(2-chlorophenyl)-2-[(2-phenylazanylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-2-[(2-phenylazanylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 2-[(2-anilinoquinazolin-4-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one CAS Name: 2-[[(2-anilino-4-quinazolinyl)thio]methyl]-3-(2-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[(2-anilinoquinazolin-4-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one Traditional Name: 2-[[(2-anilinoquinazolin-4-yl)thio]methyl]-3-(2-chlorophenyl)quinazolin-4-one Formula: C29H20ClN5OS MolecularWeight: 522.02

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=CC=CC=C5C(=O)N4C6=CC=CC=C6Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6Cl

InChI

InChI=1S/C29H20ClN5OS/c30-22-14-6-9-17-25(22)35-26(32-24-16-8-5-13-21(24)28(35)36)18-37-27-20-12-4-7-15-23(20)33-29(34-27)31-19-10-2-1-3-11-19/h1-17H,18H2,(H,31,33,34)