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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-(4-ethyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(4-ethylpiperazino)-5-nitro-pyrimidine Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O2/c1-2-30-13-15-32(16-14-30)26-25(34(35)36)27(29-21-28-26)33-19-17-31(18-20-33)24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24H,2,13-20H2,1H3