[[2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-ethyl-amino] 4-methylbenzenesulfonate

Systemtic Name: [[2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-ethyl-amino] 4-methylbenzenesulfonate Openeye Name: [(2,4-dioxo-1H-pyrimidin-3-yl)-ethyl-amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2,4-dioxo-1H-pyrimidin-3-yl)-ethylamino] ester IUPAC Name: [(2,4-dioxo-1H-pyrimidin-3-yl)-ethylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2,4-diketo-1H-pyrimidin-3-yl)-ethyl-amino] ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(N1C(=O)C=CNC1=O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(N1C(=O)C=CNC1=O)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H15N3O5S/c1-3-15(16-12(17)8-9-14-13(16)18)21-22(19,20)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,14,18)