ethyl 1-[2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylhexanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylhexanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanylhexanoyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-1-oxohexyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanylhexanoyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]hexanoyl]nipecotic acid ethyl ester Formula: C28H39N3O5S MolecularWeight: 529.69136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O5S/c1-5-7-15-24(26(33)31-16-11-14-21(18-31)27(34)36-6-2)37-28-29-23(19-35-4)22(25(32)30(28)3)17-20-12-9-8-10-13-20/h8-10,12-13,21,24H,5-7,11,14-19H2,1-4H3