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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-[2-(2-hydroxyethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[2-(2-hydroxyethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[2-[(2-hydroxyethylamino)-oxomethyl]phenoxy]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[2-(2-hydroxyethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[2-(2-hydroxyethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H25N5O8 MolecularWeight: 499.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=CC=C3C(=O)NCCO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=CC=C3C(=O)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O8/c1-2-34-19(30)9-11-27(14-16-6-5-13-35-16)21-20(28(32)33)23(26-15-25-21)36-18-8-4-3-7-17(18)22(31)24-10-12-29/h3-8,13,15,29H,2,9-12,14H2,1H3,(H,24,31)