[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 7-azanyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 7-azanyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C24H19N9O3S MolecularWeight: 513.53116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=C(C=NC2=N1)C(=O)OC3=CC=CC=C3NC(=O)NC4=NN=C(C=C4)C5=CC=CC=C5)N

Isomeric SMILES

CSC1=NN2C(=C(C=NC2=N1)C(=O)OC3=CC=CC=C3NC(=O)NC4=NN=C(C=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C24H19N9O3S/c1-37-24-29-22-26-13-15(20(25)33(22)32-24)21(34)36-18-10-6-5-9-17(18)27-23(35)28-19-12-11-16(30-31-19)14-7-3-2-4-8-14/h2-13H,25H2,1H3,(H2,27,28,31,35)