9-ethyl-N2-(phenylmethyl)-8-[3-(2H-pyridin-1-yl)pyrazol-1-yl]purine-2,6-diamine

Systemtic Name: 9-ethyl-N2-(phenylmethyl)-8-[3-(2H-pyridin-1-yl)pyrazol-1-yl]purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-[3-(2H-pyridin-1-yl)pyrazol-1-yl]purine-2,6-diamine CAS Name: 9-ethyl-N2-(phenylmethyl)-8-[3-(2H-pyridin-1-yl)-1-pyrazolyl]purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-[3-(2H-pyridin-1-yl)pyrazol-1-yl]purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-[3-(2H-pyridin-1-yl)pyrazol-1-yl]purin-2-yl]-benzyl-amine Formula: C22H23N9 MolecularWeight: 413.47832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC(=N4)N5CC=CC=C5

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC(=N4)N5CC=CC=C5

InChI

InChI=1S/C22H23N9/c1-2-30-20-18(19(23)26-21(27-20)24-15-16-9-5-3-6-10-16)25-22(30)31-14-11-17(28-31)29-12-7-4-8-13-29/h3-12,14H,2,13,15H2,1H3,(H3,23,24,26,27)