3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[benzyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]propionitrile Formula: C23H24N8O2 MolecularWeight: 444.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N(CCC#N)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N(CCC#N)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N8O2/c24-10-6-12-30(17-19-7-2-1-3-8-19)23-21(31(32)33)22(26-18-27-23)29-15-13-28(14-16-29)20-9-4-5-11-25-20/h1-5,7-9,11,18H,6,12-17H2