9-prop-2-ynyl-8-pyrazol-1-yl-purine-2,6-diamine

Systemtic Name: 9-prop-2-ynyl-8-pyrazol-1-yl-purine-2,6-diamine Openeye Name: 9-prop-2-ynyl-8-pyrazol-1-yl-purine-2,6-diamine CAS Name: 9-prop-2-ynyl-8-(1-pyrazolyl)purine-2,6-diamine IUPAC Name: 9-prop-2-ynyl-8-pyrazol-1-ylpurine-2,6-diamine Traditional Name: (2-amino-9-propargyl-8-pyrazol-1-yl-purin-6-yl)amine Formula: C11H10N8 MolecularWeight: 254.2507

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C(=NC(=N2)N)N)N=C1N3C=CC=N3

Isomeric SMILES

C#CCN1C2=C(C(=NC(=N2)N)N)N=C1N3C=CC=N3

InChI

InChI=1S/C11H10N8/c1-2-5-18-9-7(8(12)16-10(13)17-9)15-11(18)19-6-3-4-14-19/h1,3-4,6H,5H2,(H4,12,13,16,17)