N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-bromonicotinoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C20H21BrFN5O3 MolecularWeight: 478.314843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFN5O3/c21-15-10-14(11-24-12-15)20(30)27-9-1-8-26(18(27)17(28)25-7-6-23)19(29)13-2-4-16(22)5-3-13/h2-5,10-12,18H,1,6-9,23H2,(H,25,28)