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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C20H28N6O6 MolecularWeight: 448.47292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3

InChI

InChI=1S/C20H28N6O6/c1-2-31-17(27)5-7-25(14-16-4-3-11-32-16)20-18(26(28)29)19(22-15-23-20)21-6-8-24-9-12-30-13-10-24/h3-4,11,15H,2,5-10,12-14H2,1H3,(H,21,22,23)