4,5-dimethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H26N6O6/c1-24-5-7-25(8-6-24)18-12-19(23-13-22-18)32-9-4-21-20(27)14-10-16(30-2)17(31-3)11-15(14)26(28)29/h10-13H,4-9H2,1-3H3,(H,21,27)