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

Systemtic Name: ethyl 1-[5-[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[1,4-dimethyl-6-oxo-5-(p-tolylmethyl)pyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxylate CAS Name: 1-[5-[[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[1,4-dimethyl-5-[(4-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylpentanoyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[6-keto-1,4-dimethyl-5-(4-methylbenzyl)pyrimidin-2-yl]thio]pentanoyl]isonipecotic acid ethyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4S/c1-5-34-26(33)22-13-15-30(16-14-22)24(31)8-6-7-17-35-27-28-20(3)23(25(32)29(27)4)18-21-11-9-19(2)10-12-21/h9-12,22H,5-8,13-18H2,1-4H3