9-(2-methylpropyl)-8-pyrazol-1-yl-N2-(pyridin-3-ylmethyl)purine-2,6-diamine

Systemtic Name: 9-(2-methylpropyl)-8-pyrazol-1-yl-N2-(pyridin-3-ylmethyl)purine-2,6-diamine Openeye Name: 9-isobutyl-8-pyrazol-1-yl-N2-(3-pyridylmethyl)purine-2,6-diamine CAS Name: 9-(2-methylpropyl)-8-(1-pyrazolyl)-N2-(3-pyridinylmethyl)purine-2,6-diamine IUPAC Name: 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine Traditional Name: (6-amino-9-isobutyl-8-pyrazol-1-yl-purin-2-yl)-(3-pyridylmethyl)amine Formula: C18H21N9 MolecularWeight: 363.41964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NCC3=CN=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NCC3=CN=CC=C3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C18H21N9/c1-12(2)11-26-16-14(23-18(26)27-8-4-7-22-27)15(19)24-17(25-16)21-10-13-5-3-6-20-9-13/h3-9,12H,10-11H2,1-2H3,(H3,19,21,24,25)