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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C21H30N6O6 MolecularWeight: 462.4995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C21H30N6O6/c1-2-32-18(28)6-9-26(15-17-5-3-12-33-17)21-19(27(29)30)20(23-16-24-21)22-7-4-8-25-10-13-31-14-11-25/h3,5,12,16H,2,4,6-11,13-15H2,1H3,(H,22,23,24)