5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C25H29N7O2 MolecularWeight: 459.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N7O2/c33-32(34)23-24(30-12-9-21(10-13-30)18-20-6-2-1-3-7-20)27-19-28-25(23)31-16-14-29(15-17-31)22-8-4-5-11-26-22/h1-8,11,19,21H,9-10,12-18H2