9-butyl-6-(hexylamino)purine-2-carbonitrile

Systemtic Name: 9-butyl-6-(hexylamino)purine-2-carbonitrile Openeye Name: 9-butyl-6-(hexylamino)purine-2-carbonitrile CAS Name: 9-butyl-6-(hexylamino)-2-purinecarbonitrile IUPAC Name: 9-butyl-6-(hexylamino)purine-2-carbonitrile Traditional Name: 9-butyl-6-(hexylamino)purine-2-carbonitrile Formula: C16H24N6 MolecularWeight: 300.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC2=C1N=CN2CCCC)C#N

Isomeric SMILES

CCCCCCNC1=NC(=NC2=C1N=CN2CCCC)C#N

InChI

InChI=1S/C16H24N6/c1-3-5-7-8-9-18-15-14-16(21-13(11-17)20-15)22(12-19-14)10-6-4-2/h12H,3-10H2,1-2H3,(H,18,20,21)