5-chloranyl-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 5-chloranyl-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-chloro-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-chloro-3-(2-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-chloro-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-chloro-3-(2-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H12Cl2N6OS MolecularWeight: 455.31988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C20H12Cl2N6OS/c21-11-4-1-2-7-14(11)28-15(27-13-6-3-5-12(22)16(13)20(28)29)8-30-19-17-18(24-9-23-17)25-10-26-19/h1-7,9-10H,8H2,(H,23,24,25,26)