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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C19H21N5O6/c1-2-28-16(25)7-8-23(12-15-6-4-10-30-15)19-17(24(26)27)18(21-13-22-19)20-11-14-5-3-9-29-14/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,20,21,22)