ethyl 8-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]octanoate

Systemtic Name: ethyl 8-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]octanoate Openeye Name: ethyl 8-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]octanoate CAS Name: 8-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]octanoic acid ethyl ester IUPAC Name: ethyl 8-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]octanoate Traditional Name: 8-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]caprylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S/c1-2-25-19(24)13-9-4-3-5-10-14-26-20-21-17(15-18(23)22-20)16-11-7-6-8-12-16/h6-8,11-12,15H,2-5,9-10,13-14H2,1H3,(H,21,22,23)