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

Systemtic Name: 2-[[5-methyl-2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]methoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(5-methyl-2,4-dioxo-6-phenylsulfanyl-pyrimidin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[2,4-diketo-5-methyl-6-(phenylthio)pyrimidin-1-yl]methoxy]ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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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=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C(=C(C(=O)NC2=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S2/c1-15-8-10-18(11-9-15)31(26,27)29-13-12-28-14-23-20(16(2)19(24)22-21(23)25)30-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,24,25)