[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C18H18N4O4S/c1-21-11(6-15(23)22(2)18(21)25)9-26-17(24)12-7-14(10-4-5-10)20-16(27-3)13(12)8-19/h6-7,10H,4-5,9H2,1-3H3