2-chloranyl-9-[(4-methylphenyl)methyl]purin-6-amine

Systemtic Name: 2-chloranyl-9-[(4-methylphenyl)methyl]purin-6-amine Openeye Name: 2-chloro-9-(p-tolylmethyl)purin-6-amine CAS Name: 2-chloro-9-[(4-methylphenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-9-[(4-methylphenyl)methyl]purin-6-amine Traditional Name: [2-chloro-9-(4-methylbenzyl)purin-6-yl]amine Formula: C13H12ClN5 MolecularWeight: 273.72088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)Cl

InChI

InChI=1S/C13H12ClN5/c1-8-2-4-9(5-3-8)6-19-7-16-10-11(15)17-13(14)18-12(10)19/h2-5,7H,6H2,1H3,(H2,15,17,18)