5-chloranyl-3-(2-methylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 5-chloranyl-3-(2-methylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-chloro-3-(o-tolyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-chloro-3-(2-methylphenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-chloro-3-(2-methylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-chloro-3-(o-tolyl)-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=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5

InChI

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