ethyl 4-[4-oxidanylidene-5-[1-(2-oxidanylidene-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-pyrimidin-1-yl]butanoate

Systemtic Name: ethyl 4-[4-oxidanylidene-5-[1-(2-oxidanylidene-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-pyrimidin-1-yl]butanoate Openeye Name: ethyl 4-[4-oxo-5-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-thioxo-pyrimidin-1-yl]butanoate CAS Name: 4-[4-oxo-5-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-sulfanylidene-1-pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-5-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-sulfanylidenepyrimidin-1-yl]butanoate Traditional Name: 4-[4-keto-5-[1-(2-keto-1H-pyridin-4-yl)ethyl]-2-thioxo-pyrimidin-1-yl]butyric acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=O)NC1=S)C(C)C2=CC(=O)NC=C2

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=O)NC1=S)C(C)C2=CC(=O)NC=C2

InChI

InChI=1S/C17H21N3O4S/c1-3-24-15(22)5-4-8-20-10-13(16(23)19-17(20)25)11(2)12-6-7-18-14(21)9-12/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,21)(H,19,23,25)