N2-butyl-9-phenethyl-purine-2,6-diamine

Systemtic Name: N2-butyl-9-phenethyl-purine-2,6-diamine Openeye Name: N2-butyl-9-phenethyl-purine-2,6-diamine CAS Name: N2-butyl-9-phenethylpurine-2,6-diamine IUPAC Name: 2-N-butyl-9-phenethylpurine-2,6-diamine Traditional Name: (6-amino-9-phenethyl-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=CN2CCC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N6/c1-2-3-10-19-17-21-15(18)14-16(22-17)23(12-20-14)11-9-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H3,18,19,21,22)