9-(2-fluoranylpropyl)-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: 9-(2-fluoranylpropyl)-N2-(phenylmethyl)-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-(2-fluoropropyl)-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-(2-fluoropropyl)-N2-(phenylmethyl)-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-(2-fluoropropyl)-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: [6-amino-9-(2-fluoropropyl)-8-pyrazol-1-yl-purin-2-yl]-benzyl-amine Formula: C18H19FN8 MolecularWeight: 366.395463

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4)F

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=CC=N4)F

InChI

InChI=1S/C18H19FN8/c1-12(19)11-26-16-14(23-18(26)27-9-5-8-22-27)15(20)24-17(25-16)21-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,20,21,24,25)