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

Systemtic Name: N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3,4-dichlorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3,4-dichlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-bromonicotinoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C20H20BrCl2N5O3 MolecularWeight: 529.2145

Click to see the large picture

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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2N5O3/c21-14-8-13(10-25-11-14)20(31)28-7-1-6-27(18(28)17(29)26-5-4-24)19(30)12-2-3-15(22)16(23)9-12/h2-3,8-11,18H,1,4-7,24H2,(H,26,29)