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

Systemtic Name: 9-ethyl-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-ethyl-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-ethyl-8-pyrazol-1-yl-purin-2-yl)-benzyl-amine Formula: C17H18N8 MolecularWeight: 334.37842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4

InChI

InChI=1S/C17H18N8/c1-2-24-15-13(21-17(24)25-10-6-9-20-25)14(18)22-16(23-15)19-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H3,18,19,22,23)