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

Systemtic Name: [2-[(1-methyl-6-oxidanylidene-pyrimidin-4-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-[(1-methyl-6-oxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1-methyl-6-oxo-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methyl-6-oxopyrimidin-4-yl)amino]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-[(6-keto-1-methyl-pyrimidin-4-yl)amino]ethyl] ester Formula: C14H15N3O5S MolecularWeight: 337.351

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-10-3-5-11(6-4-10)23(20,21)22-8-13(18)16-12-7-14(19)17(2)9-15-12/h3-7,9H,8H2,1-2H3,(H,16,18)