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

Systemtic Name: N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-bromonicotinoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24BrN5O3 MolecularWeight: 474.35096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5O3/c1-14-3-5-15(6-4-14)20(29)26-9-2-10-27(19(26)18(28)25-8-7-23)21(30)16-11-17(22)13-24-12-16/h3-6,11-13,19H,2,7-10,23H2,1H3,(H,25,28)