6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloro-3-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-chloro-3-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloropyridin-3-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C21H20ClN7O4 MolecularWeight: 469.881

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=C(N=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=C(N=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN7O4/c22-19-15(2-1-5-23-19)26-20-18(29(30)31)21(25-12-24-20)28-8-6-27(7-9-28)11-14-3-4-16-17(10-14)33-13-32-16/h1-5,10,12H,6-9,11,13H2,(H,24,25,26)