N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[(3-chloro-4-fluoro-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[(3-chloro-4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[(3-chloro-4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[(3-chloro-4-fluoro-benzyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H19ClFN7O4 MolecularWeight: 451.839363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C18H19ClFN7O4/c19-11-6-10(3-4-12(11)20)7-22-16-15(27(30)31)17(25-9-24-16)26-5-1-2-13(26)18(29)23-8-14(21)28/h3-4,6,9,13H,1-2,5,7-8H2,(H2,21,28)(H,23,29)(H,22,24,25)