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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: 1,3-dioxolan-2-ylmethyl-methyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1OCCO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N6O6/c1-24(12-18-30-8-9-31-18)20-19(27(28)29)21(23-13-22-20)26-6-4-25(5-7-26)11-15-2-3-16-17(10-15)33-14-32-16/h2-3,10,13,18H,4-9,11-12,14H2,1H3