N2-(phenylmethyl)-9-propan-2-yl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: N2-(phenylmethyl)-9-propan-2-yl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-isopropyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-(phenylmethyl)-9-propan-2-yl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-propan-2-yl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-isopropyl-8-pyrazol-1-yl-purin-2-yl)-benzyl-amine Formula: C18H20N8 MolecularWeight: 348.405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CC(C)N1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C18H20N8/c1-12(2)26-16-14(22-18(26)25-10-6-9-21-25)15(19)23-17(24-16)20-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H3,19,20,23,24)