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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]ethyl ester IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-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=CC(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNC2=CC(=O)N(C(=O)N2C)C

InChI

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