[2-methoxy-4-[(E)-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazono]methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-[(4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC3=NC(=O)C=C(N3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=NC(=O)C=C(N3)C)OC

InChI

InChI=1S/C21H22N4O5S/c1-13-5-6-14(2)19(9-13)31(27,28)30-17-8-7-16(11-18(17)29-4)12-22-25-21-23-15(3)10-20(26)24-21/h5-12H,1-4H3,(H2,23,24,25,26)/b22-12+