9-ethyl-8-(3-methylpyrazol-1-yl)-N2-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 9-ethyl-8-(3-methylpyrazol-1-yl)-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-(3-methylpyrazol-1-yl)purine-2,6-diamine CAS Name: 9-ethyl-8-(3-methyl-1-pyrazolyl)-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-(3-methylpyrazol-1-yl)purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-(3-methylpyrazol-1-yl)purin-2-yl]-benzyl-amine Formula: C18H20N8 MolecularWeight: 348.405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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