N2-(2-methylpropyl)-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-(2-methylpropyl)-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-isobutyl-9-propyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-(2-methylpropyl)-9-propyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-(2-methylpropyl)-9-propyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-isobutyl-amine Formula: C15H22N8 MolecularWeight: 314.38878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCC(C)C)N)N=C1N3C=CC=N3

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCC(C)C)N)N=C1N3C=CC=N3

InChI

InChI=1S/C15H22N8/c1-4-7-22-13-11(19-15(22)23-8-5-6-18-23)12(16)20-14(21-13)17-9-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H3,16,17,20,21)