9-ethyl-N2-phenethyl-8-pyrazol-1-yl-purine-2,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1N4C=CC=N4

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1N4C=CC=N4

InChI

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