(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C17H15N3O3S/c1-11-5-4-8-20-14(21)9-12(19-15(11)20)10-23-17(22)13-6-3-7-18-16(13)24-2/h3-9H,10H2,1-2H3