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

Systemtic Name: N2-(2-azanylethyl)-3-(5-bromanylpyridin-3-yl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(5-bromopyridine-3-carbonyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(5-bromo-3-pyridinyl)-oxomethyl]-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(5-bromopyridine-3-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(5-bromonicotinoyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C20H22BrFN6O3 MolecularWeight: 493.329483

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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(=CN=C3)Br

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H22BrFN6O3/c21-14-9-13(11-24-12-14)19(30)27-7-2-8-28(18(27)17(29)25-6-5-23)20(31)26-16-4-1-3-15(22)10-16/h1,3-4,9-12,18H,2,5-8,23H2,(H,25,29)(H,26,31)