9-(cyclohexylmethyl)-6-[(3-methylphenyl)methylamino]purine-2-carbonitrile

Systemtic Name: 9-(cyclohexylmethyl)-6-[(3-methylphenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-(cyclohexylmethyl)-6-(m-tolylmethylamino)purine-2-carbonitrile CAS Name: 9-(cyclohexylmethyl)-6-[(3-methylphenyl)methylamino]-2-purinecarbonitrile IUPAC Name: 9-(cyclohexylmethyl)-6-[(3-methylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(cyclohexylmethyl)-6-[(3-methylbenzyl)amino]purine-2-carbonitrile Formula: C21H24N6 MolecularWeight: 360.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3CC4CCCCC4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3CC4CCCCC4)C#N

InChI

InChI=1S/C21H24N6/c1-15-6-5-9-17(10-15)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-7-3-2-4-8-16/h5-6,9-10,14,16H,2-4,7-8,12-13H2,1H3,(H,23,25,26)