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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-pyridin-3-yloxy-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(3-pyridyloxy)pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-(3-pyridinyloxy)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-pyridin-3-yloxypyrimidine Traditional Name: 5-nitro-4-(4-piperonylpiperazino)-6-(3-pyridyloxy)pyrimidine Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5/c28-27(29)19-20(23-13-24-21(19)32-16-2-1-5-22-11-16)26-8-6-25(7-9-26)12-15-3-4-17-18(10-15)31-14-30-17/h1-5,10-11,13H,6-9,12,14H2