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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-ethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: (2-ethylphenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N6O4/c1-2-18-5-3-4-6-19(18)27-23-22(30(31)32)24(26-15-25-23)29-11-9-28(10-12-29)14-17-7-8-20-21(13-17)34-16-33-20/h3-8,13,15H,2,9-12,14,16H2,1H3,(H,25,26,27)