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

Systemtic Name: 9-[(4-methylphenyl)methyl]purin-6-amine Openeye Name: 9-(p-tolylmethyl)purin-6-amine CAS Name: 9-[(4-methylphenyl)methyl]-6-purinamine IUPAC Name: 9-[(4-methylphenyl)methyl]purin-6-amine Traditional Name: [9-(4-methylbenzyl)purin-6-yl]amine Formula: C13H13N5 MolecularWeight: 239.27582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H13N5/c1-9-2-4-10(5-3-9)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3,(H2,14,15,16)