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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC2=NN=C(C2=C(N1C3=CC=CC=C3C)N)C

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC2=NN=C(C2=C(N1C3=CC=CC=C3C)N)C

InChI

InChI=1S/C21H28N6OS/c1-5-7-12-23-20(28)16(6-2)29-21-24-19-17(14(4)25-26-19)18(22)27(21)15-11-9-8-10-13(15)3/h8-11,16H,5-7,12,22H2,1-4H3,(H,23,28)