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

Systemtic Name: 5-(2-chlorophenyl)-3-(dimethylamino)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-(2-chlorophenyl)-3-(dimethylamino)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-(2-chlorophenyl)-3-(dimethylamino)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-(2-chlorophenyl)-3-(dimethylamino)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-(2-chlorophenyl)-3-(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)N1C(=NC2=CC=CC(=C2C1=O)C3=CC=CC=C3Cl)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CN(C)N1C(=NC2=CC=CC(=C2C1=O)C3=CC=CC=C3Cl)CSC4=NC=NC5=C4NC=N5

InChI

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