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

Systemtic Name: N2-(2-azanylethyl)-3-(5-bromanylpyridin-3-yl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(5-bromopyridine-3-carbonyl)-N1-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(5-bromo-3-pyridinyl)-oxomethyl]-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(5-bromopyridine-3-carbonyl)-1-N-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(5-bromonicotinoyl)-N-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H25BrN6O3/c1-14-4-2-5-17(10-14)26-21(31)28-9-3-8-27(19(28)18(29)25-7-6-23)20(30)15-11-16(22)13-24-12-15/h2,4-5,10-13,19H,3,6-9,23H2,1H3,(H,25,29)(H,26,31)