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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-piperidino-pyrimidine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O2/c27-26(28)18-19(24-9-5-2-6-10-24)21-16-22-20(18)25-13-11-23(12-14-25)15-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2