ethyl 5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanoate

Systemtic Name: ethyl 5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanoate Openeye Name: ethyl 5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanoate CAS Name: 5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanoate Traditional Name: 5-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]valeric acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCSC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-2-22-16(21)10-6-7-11-23-17-18-14(12-15(20)19-17)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19,20)