N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2-morpholin-4-ylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2-morpholin-4-ylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2-morpholinophenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(4-morpholinyl)phenoxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2-morpholin-4-ylphenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(2-morpholinophenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H25N7O6 MolecularWeight: 471.4665

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C21H25N7O6/c22-17(29)12-23-20(30)15-5-3-7-27(15)19-18(28(31)32)21(25-13-24-19)34-16-6-2-1-4-14(16)26-8-10-33-11-9-26/h1-2,4,6,13,15H,3,5,7-12H2,(H2,22,29)(H,23,30)