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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C21H28N8O4 MolecularWeight: 456.49822

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H28N8O4/c1-25-4-10-28(11-5-25)24-20-19(29(30)31)21(23-14-22-20)27-8-6-26(7-9-27)13-16-2-3-17-18(12-16)33-15-32-17/h2-3,12,14H,4-11,13,15H2,1H3,(H,22,23,24)