9-(2-methylpropyl)-N2-(piperidin-4-ylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: 9-(2-methylpropyl)-N2-(piperidin-4-ylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: 9-isobutyl-N2-(4-piperidylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-(2-methylpropyl)-N2-(4-piperidinylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 9-(2-methylpropyl)-2-N-(piperidin-4-ylmethyl)-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-isobutyl-8-pyrazol-1-yl-purin-2-yl)-(4-piperidylmethyl)amine Formula: C18H27N9 MolecularWeight: 369.46728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NCC3CCNCC3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NCC3CCNCC3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C18H27N9/c1-12(2)11-26-16-14(23-18(26)27-9-3-6-22-27)15(19)24-17(25-16)21-10-13-4-7-20-8-5-13/h3,6,9,12-13,20H,4-5,7-8,10-11H2,1-2H3,(H3,19,21,24,25)