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

Systemtic Name: 9-(2-methylpropyl)-8-pyrazol-1-yl-N2-pyrimidin-2-yl-purine-2,6-diamine Openeye Name: 9-isobutyl-8-pyrazol-1-yl-N2-pyrimidin-2-yl-purine-2,6-diamine CAS Name: 9-(2-methylpropyl)-8-(1-pyrazolyl)-N2-(2-pyrimidinyl)purine-2,6-diamine IUPAC Name: 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine Traditional Name: (6-amino-9-isobutyl-8-pyrazol-1-yl-purin-2-yl)-(2-pyrimidyl)amine Formula: C16H18N10 MolecularWeight: 350.38112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NC3=NC=CC=N3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NC3=NC=CC=N3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C16H18N10/c1-10(2)9-25-13-11(21-16(25)26-8-4-7-20-26)12(17)22-15(23-13)24-14-18-5-3-6-19-14/h3-8,10H,9H2,1-2H3,(H3,17,18,19,22,23,24)