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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6/c1-11(2)8-18-16-20-14(17)13-15(21-16)22(10-19-13)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18,20,21)