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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(3-oxidanylpropyl)phenoxy]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[4-(3-hydroxypropyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H26N4O7 MolecularWeight: 470.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)CCCO)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)CCCO)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O7/c1-2-32-20(29)11-12-26(15-19-6-4-14-33-19)22-21(27(30)31)23(25-16-24-22)34-18-9-7-17(8-10-18)5-3-13-28/h4,6-10,14,16,28H,2-3,5,11-13,15H2,1H3