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

Systemtic Name: N2-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-tert-butylbenzyl)purin-2-yl]-butyl-amine Formula: C20H28N6 MolecularWeight: 352.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6/c1-5-6-11-22-19-24-17(21)16-18(25-19)26(13-23-16)12-14-7-9-15(10-8-14)20(2,3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H3,21,22,24,25)