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

Systemtic Name: ethyl 6-[[6-[methoxy(phenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: ethyl 6-[[6-[methoxy(phenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate CAS Name: 6-[[6-[methoxy(phenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[6-[methoxy(phenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate Traditional Name: 6-[[4-keto-6-[methoxy(phenyl)methyl]-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-3-26-18(24)12-8-5-9-13-27-20-21-16(14-17(23)22-20)19(25-2)15-10-6-4-7-11-15/h4,6-7,10-11,14,19H,3,5,8-9,12-13H2,1-2H3,(H,21,22,23)