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

Systemtic Name: ethyl 6-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoate Openeye Name: ethyl 6-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoate CAS Name: 6-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]hexanoate Traditional Name: 6-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]hexanoic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-2-23-17(22)11-7-4-8-12-24-18-19-15(13-16(21)20-18)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H,19,20,21)