8-[3-(4-methylphenyl)pyrazol-1-yl]-9-propyl-purine-2,6-diamine

Systemtic Name: 8-[3-(4-methylphenyl)pyrazol-1-yl]-9-propyl-purine-2,6-diamine Openeye Name: 9-propyl-8-[3-(p-tolyl)pyrazol-1-yl]purine-2,6-diamine CAS Name: 8-[3-(4-methylphenyl)-1-pyrazolyl]-9-propylpurine-2,6-diamine IUPAC Name: 8-[3-(4-methylphenyl)pyrazol-1-yl]-9-propylpurine-2,6-diamine Traditional Name: [2-amino-9-propyl-8-[3-(p-tolyl)pyrazol-1-yl]purin-6-yl]amine Formula: C18H20N8 MolecularWeight: 348.405

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)N)N)N=C1N3C=CC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)N)N)N=C1N3C=CC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C18H20N8/c1-3-9-25-16-14(15(19)22-17(20)23-16)21-18(25)26-10-8-13(24-26)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H4,19,20,22,23)