2-[1-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-phenyl-ethoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-phenyl-ethoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-phenyl-ethoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-phenylethoxy]ethyl ester IUPAC Name: 2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-phenylethoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-phenyl-ethoxy]ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC(CC2=CC=CC=C2)N3C=C(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC(CC2=CC=CC=C2)N3C=C(C(=O)NC3=O)C

InChI

InChI=1S/C22H24N2O6S/c1-16-8-10-19(11-9-16)31(27,28)30-13-12-29-20(14-18-6-4-3-5-7-18)24-15-17(2)21(25)23-22(24)26/h3-11,15,20H,12-14H2,1-2H3,(H,23,25,26)