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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-ethyl-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N6O4/c1-3-30(20-6-4-5-18(2)13-20)25-23(31(32)33)24(26-16-27-25)29-11-9-28(10-12-29)15-19-7-8-21-22(14-19)35-17-34-21/h4-8,13-14,16H,3,9-12,15,17H2,1-2H3