9-ethyl-8-(4-iodanylpyrazol-1-yl)-N2-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 9-ethyl-8-(4-iodanylpyrazol-1-yl)-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-(4-iodopyrazol-1-yl)purine-2,6-diamine CAS Name: 9-ethyl-8-(4-iodo-1-pyrazolyl)-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-(4-iodopyrazol-1-yl)purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-(4-iodopyrazol-1-yl)purin-2-yl]-benzyl-amine Formula: C17H17IN8 MolecularWeight: 460.27495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17IN8/c1-2-25-15-13(22-17(25)26-10-12(18)9-21-26)14(19)23-16(24-15)20-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H3,19,20,23,24)