6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purine-2-carbonitrile

Systemtic Name: 6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-(p-tolylmethylamino)purine-2-carbonitrile CAS Name: 6-[(4-methylphenyl)methylamino]-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-[(4-methylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-benzyl-6-[(4-methylbenzyl)amino]purine-2-carbonitrile Formula: C21H18N6 MolecularWeight: 354.40782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H18N6/c1-15-7-9-16(10-8-15)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-17-5-3-2-4-6-17/h2-10,14H,12-13H2,1H3,(H,23,25,26)