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

Systemtic Name: 5-nitro-4,6-bis[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4,6-bis(4-benzylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 5-nitro-4,6-bis[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4,6-bis(4-benzylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4,6-bis(4-benzylpiperazino)-5-nitro-pyrimidine Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H31N7O2/c34-33(35)24-25(31-15-11-29(12-16-31)19-22-7-3-1-4-8-22)27-21-28-26(24)32-17-13-30(14-18-32)20-23-9-5-2-6-10-23/h1-10,21H,11-20H2