[(6Z)-2-azanyl-6-methoxycarbonylimino-1-oxidanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(6Z)-2-azanyl-6-methoxycarbonylimino-1-oxidanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [(6Z)-2-amino-1-hydroxy-6-methoxycarbonylimino-pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(6Z)-2-amino-1-hydroxy-6-methoxycarbonylimino-4-pyrimidinyl] ester IUPAC Name: [(6Z)-2-amino-1-hydroxy-6-methoxycarbonyliminopyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6Z)-2-amino-6-carbomethoxyimino-1-hydroxy-pyrimidin-4-yl] ester Formula: C13H14N4O6S MolecularWeight: 354.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=O)OC)N(C(=N2)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C/C(=N/C(=O)OC)/N(C(=N2)N)O

InChI

InChI=1S/C13H14N4O6S/c1-8-3-5-9(6-4-8)24(20,21)23-11-7-10(15-13(18)22-2)17(19)12(14)16-11/h3-7,19H,1-2H3,(H2,14,16)/b15-10-