[2-[(1-methyl-6-oxidanylidene-2-phenyl-pyrimidin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(1-methyl-6-oxidanylidene-2-phenyl-pyrimidin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-[(1-methyl-6-oxo-2-phenyl-pyrimidin-4-yl)amino]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1-methyl-6-oxo-2-phenyl-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methyl-6-oxo-2-phenylpyrimidin-4-yl)amino]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-[(6-keto-1-methyl-2-phenyl-pyrimidin-4-yl)amino]ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=O)N(C(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=O)N(C(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O5S/c1-14-8-10-16(11-9-14)29(26,27)28-13-18(24)21-17-12-19(25)23(2)20(22-17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,24)