N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-phenylbenzyl)purin-2-yl]-butyl-amine Formula: C22H24N6 MolecularWeight: 372.46616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6/c1-2-3-13-24-22-26-20(23)19-21(27-22)28(15-25-19)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15H,2-3,13-14H2,1H3,(H3,23,24,26,27)