4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C31H33N7O2 MolecularWeight: 535.63942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)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=C2)C3=C(C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H33N7O2/c39-38(40)29-30(36-20-16-34(17-21-36)27-14-8-3-9-15-27)32-24-33-31(29)37-22-18-35(19-23-37)28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2