tert-butyl 2-(2-methylsulfanyl-6-oxidanylidene-5-pyridin-3-yl-pyrimidin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-methylsulfanyl-6-oxidanylidene-5-pyridin-3-yl-pyrimidin-1-yl)ethanoate Openeye Name: tert-butyl 2-[2-methylsulfanyl-6-oxo-5-(3-pyridyl)pyrimidin-1-yl]acetate CAS Name: 2-[2-(methylthio)-6-oxo-5-(3-pyridinyl)-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methylsulfanyl-6-oxo-5-pyridin-3-ylpyrimidin-1-yl)acetate Traditional Name: 2-[6-keto-2-(methylthio)-5-(3-pyridyl)pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C(=CN=C1SC)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C(=CN=C1SC)C2=CN=CC=C2

InChI

InChI=1S/C16H19N3O3S/c1-16(2,3)22-13(20)10-19-14(21)12(9-18-15(19)23-4)11-6-5-7-17-8-11/h5-9H,10H2,1-4H3