2-[[2,6-bis(oxidanylidene)-3-(phenylmethyl)-8-piperazin-1-yl-purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2,6-bis(oxidanylidene)-3-(phenylmethyl)-8-piperazin-1-yl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(3-benzyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)methyl]benzonitrile CAS Name: 2-[[2,6-dioxo-3-(phenylmethyl)-8-(1-piperazinyl)-7-purinyl]methyl]benzonitrile IUPAC Name: 2-[(3-benzyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)methyl]benzonitrile Traditional Name: 2-[(3-benzyl-2,6-diketo-8-piperazino-purin-7-yl)methyl]benzonitrile Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2CC4=CC=CC=C4C#N)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2CC4=CC=CC=C4C#N)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C24H23N7O2/c25-14-18-8-4-5-9-19(18)16-30-20-21(27-23(30)29-12-10-26-11-13-29)31(24(33)28-22(20)32)15-17-6-2-1-3-7-17/h1-9,26H,10-13,15-16H2,(H,28,32,33)