ethyl 5-cyano-2-methyl-6-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=O)N3C(=CC=CC3=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=O)N3C(=CC=CC3=N2)C)C

InChI

InChI=1S/C20H18N4O3S/c1-4-27-20(26)16-8-14(10-21)19(22-13(16)3)28-11-15-9-18(25)24-12(2)6-5-7-17(24)23-15/h5-9H,4,11H2,1-3H3