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

Systemtic Name: 4,6-bis[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4,6-bis(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4,6-bis[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4,6-bis(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4,6-bis(4-benzhydrylpiperazino)-5-nitro-pyrimidine Formula: C38H39N7O2 MolecularWeight: 625.76196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C38H39N7O2/c46-45(47)36-37(43-25-21-41(22-26-43)34(30-13-5-1-6-14-30)31-15-7-2-8-16-31)39-29-40-38(36)44-27-23-42(24-28-44)35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-20,29,34-35H,21-28H2