2-chloranyl-N-methyl-8-methylsulfanyl-9-phenyl-purin-6-amine

Systemtic Name: 2-chloranyl-N-methyl-8-methylsulfanyl-9-phenyl-purin-6-amine Openeye Name: 2-chloro-N-methyl-8-methylsulfanyl-9-phenyl-purin-6-amine CAS Name: 2-chloro-N-methyl-8-(methylthio)-9-phenyl-6-purinamine IUPAC Name: 2-chloro-N-methyl-8-methylsulfanyl-9-phenylpurin-6-amine Traditional Name: [2-chloro-8-(methylthio)-9-phenyl-purin-6-yl]-methyl-amine Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)Cl

InChI

InChI=1S/C13H12ClN5S/c1-15-10-9-11(18-12(14)17-10)19(13(16-9)20-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,17,18)