9-ethyl-2-(4-phenylbut-1-ynyl)purin-6-amine

Systemtic Name: 9-ethyl-2-(4-phenylbut-1-ynyl)purin-6-amine Openeye Name: 9-ethyl-2-(4-phenylbut-1-ynyl)purin-6-amine CAS Name: 9-ethyl-2-(4-phenylbut-1-ynyl)-6-purinamine IUPAC Name: 9-ethyl-2-(4-phenylbut-1-ynyl)purin-6-amine Traditional Name: [9-ethyl-2-(4-phenylbut-1-ynyl)purin-6-yl]amine Formula: C17H17N5 MolecularWeight: 291.35038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N)C#CCCC3=CC=CC=C3

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N)C#CCCC3=CC=CC=C3

InChI

InChI=1S/C17H17N5/c1-2-22-12-19-15-16(18)20-14(21-17(15)22)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6,10H2,1H3,(H2,18,20,21)