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

Systemtic Name: ethyl 3-[[6-(2-acetamidoethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(2-acetamidoethylamino)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(2-acetamidoethylamino)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-acetamidoethylamino)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(2-acetamidoethylamino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H24N6O6 MolecularWeight: 420.41976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O6/c1-3-29-15(26)6-9-23(11-14-5-4-10-30-14)18-16(24(27)28)17(21-12-22-18)20-8-7-19-13(2)25/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,25)(H,20,21,22)