[4-[6-(2,2-dimethoxyethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(2,2-dimethoxyethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2,2-dimethoxyethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2,2-dimethoxyethylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2,2-dimethoxyethylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(2,2-dimethoxyethylamino)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C17H22N6O6 MolecularWeight: 406.39318

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3)OC

Isomeric SMILES

COC(CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C17H22N6O6/c1-27-13(28-2)10-18-15-14(23(25)26)16(20-11-19-15)21-5-7-22(8-6-21)17(24)12-4-3-9-29-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,18,19,20)