2-[4-[(4-oxidanylidene-2-piperazin-1-yl-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidene-2-piperazin-1-yl-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-2-piperazin-1-yl-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[[4-oxo-2-(1-piperazinyl)-1H-pyrimidin-6-yl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-2-piperazin-1-yl-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[(4-keto-2-piperazino-1H-pyrimidin-6-yl)methyl]piperazino]benzonitrile Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=O)C=C(N2)CN3CCN(CC3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1)C2=NC(=O)C=C(N2)CN3CCN(CC3)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H25N7O/c21-14-16-3-1-2-4-18(16)26-11-9-25(10-12-26)15-17-13-19(28)24-20(23-17)27-7-5-22-6-8-27/h1-4,13,22H,5-12,15H2,(H,23,24,28)