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

Systemtic Name: butyl 2-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O6/c1-2-3-10-31-15(26)12-20-17-16(25(28)29)18(22-13-21-17)23-6-8-24(9-7-23)19(27)14-5-4-11-30-14/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,21,22)