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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H15ClN6OS MolecularWeight: 434.9014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3Cl)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3Cl)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H15ClN6OS/c1-12-5-4-7-14-17(12)21(29)28(15-8-3-2-6-13(15)22)16(27-14)9-30-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)