6-hex-1-ynyl-9-phenyl-purine

Systemtic Name: 6-hex-1-ynyl-9-phenyl-purine Openeye Name: 6-hex-1-ynyl-9-phenyl-purine CAS Name: 6-hex-1-ynyl-9-phenylpurine IUPAC Name: 6-hex-1-ynyl-9-phenylpurine Traditional Name: 6-hex-1-ynyl-9-phenyl-purine Formula: C17H16N4 MolecularWeight: 276.33574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C2C(=NC=N1)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=C2C(=NC=N1)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4/c1-2-3-4-8-11-15-16-17(19-12-18-15)21(13-20-16)14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4H2,1H3