N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(5-nitrofuran-2-carbonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-[(5-nitro-2-furanyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-(5-nitrofuran-2-carbonyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-(5-nitro-2-furoyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C19H21FN6O6 MolecularWeight: 448.405043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN6O6/c20-12-3-1-4-13(11-12)23-19(29)25-10-2-9-24(17(25)16(27)22-8-7-21)18(28)14-5-6-15(32-14)26(30)31/h1,3-6,11,17H,2,7-10,21H2,(H,22,27)(H,23,29)