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

Systemtic Name: N2-(phenylmethyl)-9-prop-2-ynyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: N2-benzyl-9-prop-2-ynyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: N2-(phenylmethyl)-9-prop-2-ynyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-prop-2-ynyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (6-amino-9-propargyl-8-pyrazol-1-yl-purin-2-yl)-benzyl-amine Formula: C18H16N8 MolecularWeight: 344.37324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N8/c1-2-10-25-16-14(22-18(25)26-11-6-9-21-26)15(19)23-17(24-16)20-12-13-7-4-3-5-8-13/h1,3-9,11H,10,12H2,(H3,19,20,23,24)