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

Systemtic Name: 9-methyl-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-methyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-methyl-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-methyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-methyl-8-pyrazol-1-yl-purin-2-yl)-benzyl-amine Formula: C16H16N8 MolecularWeight: 320.35184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N8/c1-23-14-12(20-16(23)24-9-5-8-19-24)13(17)21-15(22-14)18-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H3,17,18,21,22)