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

Systemtic Name: ethyl 6-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]hexanoate Openeye Name: ethyl 6-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]hexanoate CAS Name: 6-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]hexanoate Traditional Name: 6-[(4-keto-6-phenethyl-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)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S/c1-2-25-19(24)11-7-4-8-14-26-20-21-17(15-18(23)22-20)13-12-16-9-5-3-6-10-16/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3,(H,21,22,23)