8-(3,5-dimethylpyrazol-1-yl)-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-8-(3,5-dimethylpyrazol-1-yl)-9-ethyl-purine-2,6-diamine CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-8-(3,5-dimethylpyrazol-1-yl)-9-ethylpurine-2,6-diamine Traditional Name: [6-amino-8-(3,5-dimethylpyrazol-1-yl)-9-ethyl-purin-2-yl]-benzyl-amine Formula: C19H22N8 MolecularWeight: 362.43158

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N8/c1-4-26-17-15(22-19(26)27-13(3)10-12(2)25-27)16(20)23-18(24-17)21-11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H3,20,21,23,24)