2-[4-azanyl-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[4-azanyl-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-amino-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-amino-5-(2-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C22H21ClN6OS MolecularWeight: 452.95974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4Cl)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4Cl)N

InChI

InChI=1S/C22H21ClN6OS/c1-14-19-20(24)29(17-10-6-5-9-16(17)23)22(26-21(19)28-27-14)31-13-18(30)25-12-11-15-7-3-2-4-8-15/h2-10H,11-13,24H2,1H3,(H,25,30)