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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCCC(C1)C(=O)OCC)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)N1CCCC(C1)C(=O)OCC)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

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