2-[[5-methyl-2,4-bis(oxidanylidene)-6-pyridin-2-ylsulfanyl-pyrimidin-1-yl]methoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[5-methyl-2,4-bis(oxidanylidene)-6-pyridin-2-ylsulfanyl-pyrimidin-1-yl]methoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[[5-methyl-2,4-dioxo-6-(2-pyridylsulfanyl)pyrimidin-1-yl]methoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[5-methyl-2,4-dioxo-6-(2-pyridinylthio)-1-pyrimidinyl]methoxy]ethyl ester IUPAC Name: 2-[(5-methyl-2,4-dioxo-6-pyridin-2-ylsulfanylpyrimidin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[2,4-diketo-5-methyl-6-(2-pyridylthio)pyrimidin-1-yl]methoxy]ethyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C(=C(C(=O)NC2=O)C)SC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C(=C(C(=O)NC2=O)C)SC3=CC=CC=N3

InChI

InChI=1S/C20H21N3O6S2/c1-14-6-8-16(9-7-14)31(26,27)29-12-11-28-13-23-19(15(2)18(24)22-20(23)25)30-17-5-3-4-10-21-17/h3-10H,11-13H2,1-2H3,(H,22,24,25)