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

Systemtic Name: 2-[4-azanyl-5-(3-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide Openeye Name: 2-[4-amino-5-(3-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide CAS Name: 2-[[4-amino-5-(3-chloro-2-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylbutanamide IUPAC Name: 2-[4-amino-5-(3-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylbutanamide Traditional Name: 2-[[4-amino-5-(3-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-butyramide Formula: C21H27ClN6OS MolecularWeight: 446.99668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=C(C(=CC=C3)Cl)C)N)C

Isomeric SMILES

CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=C(C(=CC=C3)Cl)C)N)C

InChI

InChI=1S/C21H27ClN6OS/c1-6-16(20(29)27(7-2)8-3)30-21-24-19-17(13(5)25-26-19)18(23)28(21)15-11-9-10-14(22)12(15)4/h9-11,16H,6-8,23H2,1-5H3