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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,2-dimethoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,2-dimethoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2,2-dimethoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,2-dimethoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: 2,2-dimethoxyethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O6/c1-29-17(30-2)10-21-19-18(26(27)28)20(23-12-22-19)25-7-5-24(6-8-25)11-14-3-4-15-16(9-14)32-13-31-15/h3-4,9,12,17H,5-8,10-11,13H2,1-2H3,(H,21,22,23)