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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-3-yloxy-pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(3-pyridyloxy)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-(3-pyridinyloxy)pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-pyridin-3-yloxypyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-(3-pyridyloxy)pyrimidine Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3/c27-26(28)18-19(22-15-23-20(18)29-17-7-4-8-21-13-17)25-11-9-24(10-12-25)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2