6-chloranyl-9-methyl-8-(4-methylsulfanylphenyl)purine

Systemtic Name: 6-chloranyl-9-methyl-8-(4-methylsulfanylphenyl)purine Openeye Name: 6-chloro-9-methyl-8-(4-methylsulfanylphenyl)purine CAS Name: 6-chloro-9-methyl-8-[4-(methylthio)phenyl]purine IUPAC Name: 6-chloro-9-methyl-8-(4-methylsulfanylphenyl)purine Traditional Name: 6-chloro-9-methyl-8-[4-(methylthio)phenyl]purine Formula: C13H11ClN4S MolecularWeight: 290.77124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)Cl)N=C1C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=C(C(=NC=N2)Cl)N=C1C3=CC=C(C=C3)SC

InChI

InChI=1S/C13H11ClN4S/c1-18-12(8-3-5-9(19-2)6-4-8)17-10-11(14)15-7-16-13(10)18/h3-7H,1-2H3