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

Systemtic Name: 1-pyridin-2-ylethyl 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 1-(2-pyridyl)ethyl 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 1-(2-pyridinyl)ethyl ester IUPAC Name: 1-pyridin-2-ylethyl 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 1-(2-pyridyl)ethyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)OC(=O)C2=C(N=CC=C2)SCC3=CC(=O)N4C=CC=CC4=N3

Isomeric SMILES

CC(C1=CC=CC=N1)OC(=O)C2=C(N=CC=C2)SCC3=CC(=O)N4C=CC=CC4=N3

InChI

InChI=1S/C22H18N4O3S/c1-15(18-8-2-4-10-23-18)29-22(28)17-7-6-11-24-21(17)30-14-16-13-20(27)26-12-5-3-9-19(26)25-16/h2-13,15H,14H2,1H3