ethyl 6-[[4-oxidanylidene-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: ethyl 6-[[4-oxidanylidene-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: ethyl 6-[[4-oxo-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate CAS Name: 6-[[4-oxo-6-(1-phenylethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-oxo-6-(1-phenylethyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Traditional Name: 6-[[4-keto-6-(1-phenylethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)C(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)C(C)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S/c1-3-25-19(24)12-8-5-9-13-26-20-21-17(14-18(23)22-20)15(2)16-10-6-4-7-11-16/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3,(H,21,22,23)