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

Systemtic Name: 2-[4-azanyl-5-(5-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-amino-5-(5-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-(5-chloro-2-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-amino-5-(5-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-(5-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-acetamide Formula: C19H23ClN6OS MolecularWeight: 418.94352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=C(C=CC(=C3)Cl)C)N)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=C(C=CC(=C3)Cl)C)N)C

InChI

InChI=1S/C19H23ClN6OS/c1-5-25(6-2)15(27)10-28-19-22-18-16(12(4)23-24-18)17(21)26(19)14-9-13(20)8-7-11(14)3/h7-9H,5-6,10,21H2,1-4H3