[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 6-oxo-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-1H-pyridazine-3-carboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 6-oxo-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-1H-pyridazine-3-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=NNC(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=NNC(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O3S/c1-31-22-24-18(14-6-3-2-4-7-14)13-19(25-22)23-15-8-5-9-16(12-15)30-21(29)17-10-11-20(28)27-26-17/h2-13H,1H3,(H,27,28)(H,23,24,25)