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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H25ClN6O6 MolecularWeight: 528.9449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl)OC

InChI

InChI=1S/C24H25ClN6O6/c1-34-19-11-20(35-2)17(10-16(19)25)28-23-22(31(32)33)24(27-13-26-23)30-7-5-29(6-8-30)12-15-3-4-18-21(9-15)37-14-36-18/h3-4,9-11,13H,5-8,12,14H2,1-2H3,(H,26,27,28)