ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[3-(2-oxo-1-pyrrolidinyl)propylamino]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[3-(2-ketopyrrolidino)propylamino]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C21H28N6O6 MolecularWeight: 460.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCCC3=O

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCCC3=O

InChI

InChI=1S/C21H28N6O6/c1-2-32-18(29)8-12-26(14-16-6-4-13-33-16)21-19(27(30)31)20(23-15-24-21)22-9-5-11-25-10-3-7-17(25)28/h4,6,13,15H,2-3,5,7-12,14H2,1H3,(H,22,23,24)