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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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