9-(4-methylphenyl)purine-2,6-diamine chloride

Systemtic Name: 9-(4-methylphenyl)purine-2,6-diamine chloride Openeye Name: 9-(p-tolyl)purine-2,6-diamine chloride CAS Name: 9-(4-methylphenyl)purine-2,6-diamine chloride IUPAC Name: 9-(4-methylphenyl)purine-2,6-diamine chloride Traditional Name: [2-amino-9-(p-tolyl)purin-6-yl]amine chloride Formula: C12H12ClN6- MolecularWeight: 275.71688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N)N.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N)N.[Cl-]

InChI

InChI=1S/C12H12N6.ClH/c1-7-2-4-8(5-3-7)18-6-15-9-10(13)16-12(14)17-11(9)18;/h2-6H,1H3,(H4,13,14,16,17);1H/p-1