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

Systemtic Name: 6-(hexylamino)-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-(hexylamino)purine-2-carbonitrile CAS Name: 6-(hexylamino)-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-(hexylamino)purine-2-carbonitrile Traditional Name: 9-benzyl-6-(hexylamino)purine-2-carbonitrile Formula: C19H22N6 MolecularWeight: 334.41818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H22N6/c1-2-3-4-8-11-21-18-17-19(24-16(12-20)23-18)25(14-22-17)13-15-9-6-5-7-10-15/h5-7,9-10,14H,2-4,8,11,13H2,1H3,(H,21,23,24)