9-(phenylmethyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile

Systemtic Name: 9-(phenylmethyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile Openeye Name: 9-benzyl-6-(benzylamino)purine-2-carbonitrile CAS Name: 9-(phenylmethyl)-6-[(phenylmethyl)amino]-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-(benzylamino)purine-2-carbonitrile Traditional Name: 9-benzyl-6-(benzylamino)purine-2-carbonitrile Formula: C20H16N6 MolecularWeight: 340.38124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6/c21-11-17-24-19(22-12-15-7-3-1-4-8-15)18-20(25-17)26(14-23-18)13-16-9-5-2-6-10-16/h1-10,14H,12-13H2,(H,22,24,25)