N2-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-(m-tolylmethyl)purine-2,6-diamine CAS Name: N2-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(3-methylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(3-methylbenzyl)purin-2-yl]-butyl-amine Formula: C17H22N6 MolecularWeight: 310.39678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)C

InChI

InChI=1S/C17H22N6/c1-3-4-8-19-17-21-15(18)14-16(22-17)23(11-20-14)10-13-7-5-6-12(2)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H3,18,19,21,22)