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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[(2,3-dimethoxyphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-o-veratryl-amine Formula: C25H28N6O6 MolecularWeight: 508.52642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N6O6/c1-34-20-5-3-4-18(23(20)35-2)13-26-24-22(31(32)33)25(28-15-27-24)30-10-8-29(9-11-30)14-17-6-7-19-21(12-17)37-16-36-19/h3-7,12,15H,8-11,13-14,16H2,1-2H3,(H,26,27,28)