N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(2,2-dimethylcoumaran-7-yl)oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H24N6O6 MolecularWeight: 456.45186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4C(=O)NCC(=O)N)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4C(=O)NCC(=O)N)C

InChI

InChI=1S/C21H24N6O6/c1-21(2)9-12-5-3-7-14(17(12)33-21)32-20-16(27(30)31)18(24-11-25-20)26-8-4-6-13(26)19(29)23-10-15(22)28/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,22,28)(H,23,29)