2-[[3,5-dimethyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[3,5-dimethyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3,5-dimethyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3,5-dimethyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]ethyl ester IUPAC Name: 2-[(3,5-dimethyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2,4-diketo-3,5-dimethyl-1H-pyrimidin-6-yl)amino]ethyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNC2=C(C(=O)N(C(=O)N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNC2=C(C(=O)N(C(=O)N2)C)C

InChI

InChI=1S/C15H19N3O5S/c1-10-4-6-12(7-5-10)24(21,22)23-9-8-16-13-11(2)14(19)18(3)15(20)17-13/h4-7,16H,8-9H2,1-3H3,(H,17,20)