N2-butyl-9-(phenylmethyl)purine-2,6-diamine

Systemtic Name: N2-butyl-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-N2-butyl-purine-2,6-diamine CAS Name: N2-butyl-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-2-N-butylpurine-2,6-diamine Traditional Name: (6-amino-9-benzyl-purin-2-yl)-butyl-amine Formula: C16H20N6 MolecularWeight: 296.3702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6/c1-2-3-9-18-16-20-14(17)13-15(21-16)22(11-19-13)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H3,17,18,20,21)