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

Systemtic Name: ethyl 4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-21-15(20)9-6-10-22-16-17-13(11-14(19)18-16)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,17,18,19)