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

Systemtic Name: 6-(phenethylamino)-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-(phenethylamino)purine-2-carbonitrile CAS Name: 6-(phenethylamino)-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-(phenethylamino)purine-2-carbonitrile Traditional Name: 9-benzyl-6-(phenethylamino)purine-2-carbonitrile Formula: C21H18N6 MolecularWeight: 354.40782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H18N6/c22-13-18-25-20(23-12-11-16-7-3-1-4-8-16)19-21(26-18)27(15-24-19)14-17-9-5-2-6-10-17/h1-10,15H,11-12,14H2,(H,23,25,26)