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

Systemtic Name: ethyl 1-[5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate CAS Name: 1-[5-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-1-oxopentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]pentanoyl]nipecotic acid ethyl ester Formula: C26H34BrN3O4S MolecularWeight: 564.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCCSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCCSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C26H34BrN3O4S/c1-4-34-25(33)20-8-7-14-30(17-20)23(31)9-5-6-15-35-26-28-18(2)22(24(32)29(26)3)16-19-10-12-21(27)13-11-19/h10-13,20H,4-9,14-17H2,1-3H3