5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-benzylpiperidino)-5-nitro-pyrimidine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H32N6O2/c34-33(35)25-26(31-13-11-23(12-14-31)19-22-7-3-1-4-8-22)28-21-29-27(25)32-17-15-30(16-18-32)20-24-9-5-2-6-10-24/h1-10,21,23H,11-20H2