[2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-[(6-keto-4-methoxy-1H-pyrimidin-2-yl)amino]ethyl] ester Formula: C22H21N3O8S MolecularWeight: 487.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC3=NC(=CC(=O)N3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC3=NC(=CC(=O)N3)OC

InChI

InChI=1S/C22H21N3O8S/c1-13-8-9-14(2)17(10-13)34(29,30)33-16-7-5-4-6-15(16)21(28)32-12-19(27)24-22-23-18(26)11-20(25-22)31-3/h4-11H,12H2,1-3H3,(H2,23,24,25,26,27)