2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N,N-dimethyl-ethanamide Openeye Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N,N-dimethyl-acetamide CAS Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-N,N-dimethylacetamide IUPAC Name: 2-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]-N,N-dimethylacetamide Traditional Name: N,N-dimethyl-2-[[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amino]acetamide Formula: C20H25N7O5 MolecularWeight: 443.4564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N7O5/c1-24(2)17(28)10-21-19-18(27(29)30)20(23-12-22-19)26-7-5-25(6-8-26)11-14-3-4-15-16(9-14)32-13-31-15/h3-4,9,12H,5-8,10-11,13H2,1-2H3,(H,21,22,23)