propan-2-yl 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: propan-2-yl 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: isopropyl 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]nicotinic acid isopropyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-12(2)24-18(23)14-6-5-8-19-17(14)25-11-13-10-16(22)21-9-4-3-7-15(21)20-13/h3-10,12H,11H2,1-2H3