4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C30H32N8O2 MolecularWeight: 536.62748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H32N8O2/c39-38(40)28-29(36-19-15-34(16-20-36)26-13-7-8-14-31-26)32-23-33-30(28)37-21-17-35(18-22-37)27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,23,27H,15-22H2