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

Systemtic Name: 3-(2-chlorophenyl)-5-(dimethylamino)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-5-(dimethylamino)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-5-(dimethylamino)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-5-(dimethylamino)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-5-(dimethylamino)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C22H18ClN7OS MolecularWeight: 463.94262

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl

Isomeric SMILES

CN(C)C1=CC=CC2=C1C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H18ClN7OS/c1-29(2)16-9-5-7-14-18(16)22(31)30(15-8-4-3-6-13(15)23)17(28-14)10-32-21-19-20(25-11-24-19)26-12-27-21/h3-9,11-12H,10H2,1-2H3,(H,24,25,26,27)