ethyl 7-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate

Systemtic Name: ethyl 7-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate Openeye Name: ethyl 7-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate CAS Name: 7-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate Traditional Name: 7-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]enanthic acid ethyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O3S/c1-2-24-18(23)12-8-3-4-9-13-25-19-20-16(14-17(22)21-19)15-10-6-5-7-11-15/h5-7,10-11,14H,2-4,8-9,12-13H2,1H3,(H,20,21,22)