methyl 6-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate

Systemtic Name: methyl 6-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate Openeye Name: methyl 6-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amino]hexanoic acid methyl ester Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N6O6/c1-33-20(30)5-3-2-4-8-24-22-21(29(31)32)23(26-15-25-22)28-11-9-27(10-12-28)14-17-6-7-18-19(13-17)35-16-34-18/h6-7,13,15H,2-5,8-12,14,16H2,1H3,(H,24,25,26)