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

Systemtic Name: N2-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine Openeye Name: 9-[(4-benzyloxyphenyl)methyl]-N2-butyl-purine-2,6-diamine CAS Name: N2-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-benzoxybenzyl)purin-2-yl]-butyl-amine Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O/c1-2-3-13-25-23-27-21(24)20-22(28-23)29(16-26-20)14-17-9-11-19(12-10-17)30-15-18-7-5-4-6-8-18/h4-12,16H,2-3,13-15H2,1H3,(H3,24,25,27,28)