ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxy-pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxy-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxy-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[(1,4,6-trimethyl-3-pyrazolo[3,4-b]pyridinyl)oxy]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxypyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxy-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C23H25N7O6 MolecularWeight: 495.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=NN(C4=C3C(=CC(=N4)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=NN(C4=C3C(=CC(=N4)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O6/c1-5-34-17(31)8-9-29(12-16-7-6-10-35-16)21-19(30(32)33)23(25-13-24-21)36-22-18-14(2)11-15(3)26-20(18)28(4)27-22/h6-7,10-11,13H,5,8-9,12H2,1-4H3