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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(6-chloranyl-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(6-chloro-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[(6-chloro-3-phenyl-4-pyridazinyl)oxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(6-chloro-3-phenylpyridazin-4-yl)oxy-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(6-chloro-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H19ClN8O5 MolecularWeight: 498.87916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC(=NN=C3C4=CC=CC=C4)Cl)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC(=NN=C3C4=CC=CC=C4)Cl)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C21H19ClN8O5/c22-15-9-14(17(28-27-15)12-5-2-1-3-6-12)35-21-18(30(33)34)19(25-11-26-21)29-8-4-7-13(29)20(32)24-10-16(23)31/h1-3,5-6,9,11,13H,4,7-8,10H2,(H2,23,31)(H,24,32)