ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C23H28BrN3O4S/c1-4-31-22(30)17-6-5-11-27(13-17)20(28)14-32-23-25-15(2)19(21(29)26(23)3)12-16-7-9-18(24)10-8-16/h7-10,17H,4-6,11-14H2,1-3H3