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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylbutanamide IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylbutanamide Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-butyramide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c1-6-16(20(28)26(7-2)8-3)29-21-23-19-17(14(5)24-25-19)18(22)27(21)15-11-9-10-13(4)12-15/h9-12,16H,6-8,22H2,1-5H3