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

Systemtic Name: ethyl 1-[5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxylate CAS Name: 1-[5-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]pentanoyl]isonipecotic acid ethyl ester Formula: C26H34BrN3O4S MolecularWeight: 564.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCCSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCCSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C26H34BrN3O4S/c1-4-34-25(33)20-12-14-30(15-13-20)23(31)7-5-6-16-35-26-28-18(2)22(24(32)29(26)3)17-19-8-10-21(27)11-9-19/h8-11,20H,4-7,12-17H2,1-3H3