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

Systemtic Name: N2-(2,2-dimethylpropyl)-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-N2-(2,2-dimethylpropyl)purine-2,6-diamine CAS Name: N2-(2,2-dimethylpropyl)-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-2-N-(2,2-dimethylpropyl)purine-2,6-diamine Traditional Name: (6-amino-9-benzyl-purin-2-yl)-neopentyl-amine Formula: C17H22N6 MolecularWeight: 310.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

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