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

Systemtic Name: 3-(2-chlorophenyl)-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-5-methoxy-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-5-methoxy-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H15ClN6O2S MolecularWeight: 450.9008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C21H15ClN6O2S/c1-30-15-8-4-6-13-17(15)21(29)28(14-7-3-2-5-12(14)22)16(27-13)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)