propan-2-yl 2-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: propan-2-yl 2-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: isopropyl 2-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]acetic acid isopropyl ester Formula: C18H22N6O6 MolecularWeight: 418.40388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O6/c1-12(2)30-14(25)10-19-16-15(24(27)28)17(21-11-20-16)22-5-7-23(8-6-22)18(26)13-4-3-9-29-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,20,21)