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

Systemtic Name: ethyl 3-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-[(2-ethoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[(2-ethoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-[(2-ethoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C23H27N5O6 MolecularWeight: 469.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=C(C(=NC=N2)N(CCC(=O)OCC)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=C(C(=NC=N2)N(CCC(=O)OCC)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O6/c1-3-32-19-10-6-5-8-17(19)14-24-22-21(28(30)31)23(26-16-25-22)27(12-11-20(29)33-4-2)15-18-9-7-13-34-18/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3,(H,24,25,26)