3-(2-chlorophenyl)-6,7-dimethoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-6,7-dimethoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-6,7-dimethoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-6,7-dimethoxy-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-6,7-dimethoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-6,7-dimethoxy-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C22H17ClN6O3S MolecularWeight: 480.92678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl)OC

InChI

InChI=1S/C22H17ClN6O3S/c1-31-16-7-12-14(8-17(16)32-2)28-18(29(22(12)30)15-6-4-3-5-13(15)23)9-33-21-19-20(25-10-24-19)26-11-27-21/h3-8,10-11H,9H2,1-2H3,(H,24,25,26,27)