ethyl 4-[5-[(4-bromophenyl)methyl]-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(4-bromophenyl)methyl]-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(4-bromophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[5-[(4-bromophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-bromophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(4-bromobenzyl)-2,4-diketo-3-methyl-1H-pyrimidin-6-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23BrN4O4 MolecularWeight: 451.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN4O4/c1-3-28-19(27)24-10-8-23(9-11-24)16-15(17(25)22(2)18(26)21-16)12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,21,26)