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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-piperidino-pyrimidine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O2/c27-26(28)19-20(24-11-5-2-6-12-24)22-16-23-21(19)25-13-9-18(10-14-25)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2