N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(coumaran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H23N7O5 MolecularWeight: 441.44052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCC4)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCC4)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C20H23N7O5/c21-16(28)10-23-20(29)14-2-1-6-26(14)19-17(27(30)31)18(24-11-25-19)22-9-12-3-4-15-13(8-12)5-7-32-15/h3-4,8,11,14H,1-2,5-7,9-10H2,(H2,21,28)(H,23,29)(H,22,24,25)