5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-pyridin-3-yloxy-pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-pyridin-3-yloxy-pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-(3-pyridyloxy)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-(3-pyridinyloxy)pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-pyridin-3-yloxypyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-(3-pyridyloxy)pyrimidine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-26(28)19-20(23-15-24-21(19)29-18-7-4-10-22-14-18)25-11-8-17(9-12-25)13-16-5-2-1-3-6-16/h1-7,10,14-15,17H,8-9,11-13H2