2-[[5-methyl-2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]methoxy]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[[5-methyl-2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]methoxy]ethyl pyridine-3-carboxylate Openeye Name: 2-[(5-methyl-2,4-dioxo-6-phenylsulfanyl-pyrimidin-1-yl)methoxy]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[5-methyl-2,4-dioxo-6-(phenylthio)-1-pyrimidinyl]methoxy]ethyl ester IUPAC Name: 2-[(5-methyl-2,4-dioxo-6-phenylsulfanylpyrimidin-1-yl)methoxy]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[[2,4-diketo-5-methyl-6-(phenylthio)pyrimidin-1-yl]methoxy]ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)COCCOC(=O)C2=CN=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)COCCOC(=O)C2=CN=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S/c1-14-17(24)22-20(26)23(18(14)29-16-7-3-2-4-8-16)13-27-10-11-28-19(25)15-6-5-9-21-12-15/h2-9,12H,10-11,13H2,1H3,(H,22,24,26)