ethyl 3-[[6-[(2-butoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-[(2-butoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-[(2-butoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-[(2-butoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[(2-butoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-[(2-butoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C20H27N5O7 MolecularWeight: 449.45768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC1=C(C(=NC=N1)N(CCC(=O)OCC)CC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CNC1=C(C(=NC=N1)N(CCC(=O)OCC)CC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O7/c1-3-5-10-32-17(27)12-21-19-18(25(28)29)20(23-14-22-19)24(9-8-16(26)30-4-2)13-15-7-6-11-31-15/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H,21,22,23)