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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-ethoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-ethoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[(2-ethoxyphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-ethoxyphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: (2-ethoxybenzyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N6O5/c1-2-34-20-6-4-3-5-19(20)14-26-24-23(31(32)33)25(28-16-27-24)30-11-9-29(10-12-30)15-18-7-8-21-22(13-18)36-17-35-21/h3-8,13,16H,2,9-12,14-15,17H2,1H3,(H,26,27,28)