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

Systemtic Name: ethyl 1-[2-[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylpentanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate CAS Name: 1-[2-[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-1-oxopentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]pentanoyl]nipecotic acid ethyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-5-11-22(24(31)29-15-10-14-20(17-29)25(32)33-6-2)34-26-27-18(3)21(23(30)28(26)4)16-19-12-8-7-9-13-19/h7-9,12-13,20,22H,5-6,10-11,14-17H2,1-4H3