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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4,4-diethoxybutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4,4-diethoxybutyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4,4-diethoxybutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4,4-diethoxybutyl)-5-nitropyrimidin-4-amine Traditional Name: 4,4-diethoxybutyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H34N6O6 MolecularWeight: 502.56336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C24H34N6O6/c1-3-33-21(34-4-2)6-5-9-25-23-22(30(31)32)24(27-16-26-23)29-12-10-28(11-13-29)15-18-7-8-19-20(14-18)36-17-35-19/h7-8,14,16,21H,3-6,9-13,15,17H2,1-2H3,(H,25,26,27)