N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-21-4-6-22(7-5-21)17-15(23(24)25)16(18-11-19-17)20-12-2-3-13-14(10-12)27-9-8-26-13/h2-3,10-11H,4-9H2,1H3,(H,18,19,20)