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

Systemtic Name: ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpropanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylpropanoyl]piperidine-3-carboxylate CAS Name: 1-[2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpropanoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]propanoyl]nipecotic acid ethyl ester Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(C)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(C)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H30BrN3O4S/c1-5-32-23(31)18-7-6-12-28(14-18)21(29)16(3)33-24-26-15(2)20(22(30)27(24)4)13-17-8-10-19(25)11-9-17/h8-11,16,18H,5-7,12-14H2,1-4H3