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

Systemtic Name: 2-[[5-methyl-2,4-bis(oxidanylidene)-6-phenylsulfanyl-pyrimidin-1-yl]methoxy]ethyl benzoate Openeye Name: 2-[(5-methyl-2,4-dioxo-6-phenylsulfanyl-pyrimidin-1-yl)methoxy]ethyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 2-[[2,4-diketo-5-methyl-6-(phenylthio)pyrimidin-1-yl]methoxy]ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-15-18(24)22-21(26)23(19(15)29-17-10-6-3-7-11-17)14-27-12-13-28-20(25)16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,22,24,26)