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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(5-chloranylpyridin-3-yl)oxy-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[(5-chloro-3-pyridyl)oxy]-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[(5-chloro-3-pyridinyl)oxy]-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(5-chloropyridin-3-yl)oxy-5-nitropyrimidine Traditional Name: 4-[(5-chloro-3-pyridyl)oxy]-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C21H19ClN6O5 MolecularWeight: 470.86576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O5/c22-15-8-16(10-23-9-15)33-21-19(28(29)30)20(24-12-25-21)27-5-3-26(4-6-27)11-14-1-2-17-18(7-14)32-13-31-17/h1-2,7-10,12H,3-6,11,13H2