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

Systemtic Name: N-(2-azanylethyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-bromonicotinoyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24BrN5O4 MolecularWeight: 490.35036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H24BrN5O4/c1-31-17-5-2-4-14(11-17)20(29)26-8-3-9-27(19(26)18(28)25-7-6-23)21(30)15-10-16(22)13-24-12-15/h2,4-5,10-13,19H,3,6-9,23H2,1H3,(H,25,28)