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

Systemtic Name: 9-(2-methylpropyl)-N2-(oxolan-3-yl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: 9-isobutyl-8-pyrazol-1-yl-N2-tetrahydrofuran-3-yl-purine-2,6-diamine CAS Name: 9-(2-methylpropyl)-N2-(3-oxolanyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 9-(2-methylpropyl)-2-N-(oxolan-3-yl)-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-isobutyl-8-pyrazol-1-yl-purin-2-yl)-tetrahydrofuran-3-yl-amine Formula: C16H22N8O MolecularWeight: 342.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NC3CCOC3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NC3CCOC3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C16H22N8O/c1-10(2)8-23-14-12(20-16(23)24-6-3-5-18-24)13(17)21-15(22-14)19-11-4-7-25-9-11/h3,5-6,10-11H,4,7-9H2,1-2H3,(H3,17,19,21,22)