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

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 7-azanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 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]methyl ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]methyl 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]benzyl] ester Formula: C26H22N8O2S MolecularWeight: 510.57028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1)N=CC(=C2N)C(=O)OCC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=C1)N=CC(=C2N)C(=O)OCC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N8O2S/c1-16-13-23-28-14-19(24(27)34(23)33-16)25(35)36-15-18-9-5-6-10-20(18)29-26(37)30-22-12-11-21(31-32-22)17-7-3-2-4-8-17/h2-14H,15,27H2,1H3,(H2,29,30,32,37)