N-(4-chlorophenyl)-5-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-chlorophenyl)-5-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-chlorophenyl)-5-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-chlorophenyl)-5-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-chlorophenyl)-5-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-chlorophenyl)-5-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C20H20ClN9OS MolecularWeight: 469.9505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=NN=C(S4)C(=O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=NN=C(S4)C(=O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H20ClN9OS/c1-28-17-15(10-24-28)18(23-12-22-17)30-8-6-29(7-9-30)11-16-26-27-20(32-16)19(31)25-14-4-2-13(21)3-5-14/h2-5,10,12H,6-9,11H2,1H3,(H,25,31)