2-oct-1-ynyl-7H-purin-6-amine

Systemtic Name: 2-oct-1-ynyl-7H-purin-6-amine Openeye Name: 2-oct-1-ynyl-7H-purin-6-amine CAS Name: 2-oct-1-ynyl-7H-purin-6-amine IUPAC Name: 2-oct-1-ynyl-7H-purin-6-amine Traditional Name: (2-oct-1-ynyl-7H-purin-6-yl)amine Formula: C13H17N5 MolecularWeight: 243.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)NC=N2

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)NC=N2

InChI

InChI=1S/C13H17N5/c1-2-3-4-5-6-7-8-10-17-12(14)11-13(18-10)16-9-15-11/h9H,2-6H2,1H3,(H3,14,15,16,17,18)