ethyl 3-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(coumaran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H25N5O6/c1-2-32-20(29)7-9-27(14-18-4-3-10-33-18)23-21(28(30)31)22(25-15-26-23)24-13-16-5-6-19-17(12-16)8-11-34-19/h3-6,10,12,15H,2,7-9,11,13-14H2,1H3,(H,24,25,26)