ethyl 4-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27BrN4O4S MolecularWeight: 523.44318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H27BrN4O4S/c1-4-31-22(30)27-11-9-26(10-12-27)19(28)14-32-21-24-15(2)18(20(29)25(21)3)13-16-5-7-17(23)8-6-16/h5-8H,4,9-14H2,1-3H3