(6-azanyl-2-azanylidene-1-oxidanyl-pyrimidin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-azanyl-2-azanylidene-1-oxidanyl-pyrimidin-4-yl) 4-methylbenzenesulfonate Openeye Name: (6-amino-1-hydroxy-2-imino-pyrimidin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-amino-1-hydroxy-2-imino-4-pyrimidinyl) ester IUPAC Name: (6-amino-1-hydroxy-2-iminopyrimidin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-amino-1-hydroxy-2-imino-pyrimidin-4-yl) ester Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=N)N(C(=C2)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=N)N(C(=C2)N)O

InChI

InChI=1S/C11H12N4O4S/c1-7-2-4-8(5-3-7)20(17,18)19-10-6-9(12)15(16)11(13)14-10/h2-6,13,16H,12H2,1H3