[2-[(1,2-dimethyl-6-oxidanylidene-pyrimidin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(1,2-dimethyl-6-oxidanylidene-pyrimidin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-[(1,2-dimethyl-6-oxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1,2-dimethyl-6-oxo-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,2-dimethyl-6-oxopyrimidin-4-yl)amino]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-[(6-keto-1,2-dimethyl-pyrimidin-4-yl)amino]ethyl] ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-10-4-6-12(7-5-10)24(21,22)23-9-14(19)17-13-8-15(20)18(3)11(2)16-13/h4-8H,9H2,1-3H3,(H,17,19)