[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 7-azanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 7-azanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 7-amino-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-amino-2-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-amino-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C25H20N8O2S MolecularWeight: 496.5437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1)N=CC(=C2N)C(=O)OC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=C1)N=CC(=C2N)C(=O)OC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N8O2S/c1-15-13-22-27-14-17(23(26)33(22)32-15)24(34)35-20-10-6-5-9-19(20)28-25(36)29-21-12-11-18(30-31-21)16-7-3-2-4-8-16/h2-14H,26H2,1H3,(H2,28,29,31,36)