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

Systemtic Name: N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-bromonicotinoyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24BrN5O3 MolecularWeight: 474.35096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5O3/c1-14-4-2-5-15(10-14)20(29)26-8-3-9-27(19(26)18(28)25-7-6-23)21(30)16-11-17(22)13-24-12-16/h2,4-5,10-13,19H,3,6-9,23H2,1H3,(H,25,28)