6-hex-1-ynyl-2-methyl-9-phenyl-purine

Systemtic Name: 6-hex-1-ynyl-2-methyl-9-phenyl-purine Openeye Name: 6-hex-1-ynyl-2-methyl-9-phenyl-purine CAS Name: 6-hex-1-ynyl-2-methyl-9-phenylpurine IUPAC Name: 6-hex-1-ynyl-2-methyl-9-phenylpurine Traditional Name: 6-hex-1-ynyl-2-methyl-9-phenyl-purine Formula: C18H18N4 MolecularWeight: 290.36232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4/c1-3-4-5-9-12-16-17-18(21-14(2)20-16)22(13-19-17)15-10-7-6-8-11-15/h6-8,10-11,13H,3-5H2,1-2H3