3-methylbutyl 4-(4-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 3-methylbutyl 4-(4-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: isopentyl 4-(4-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(4-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid isoamyl ester Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O3/c1-10(2)8-9-23-16(21)14-11(3)19-17(22)20-15(14)12-4-6-13(18)7-5-12/h4-7,10,14-15H,3,8-9H2,1-2H3,(H2,19,20,22)