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

Systemtic Name: 2-[4-azanyl-5-(3,4-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butan-2-yl-ethanamide Openeye Name: 2-[4-amino-5-(3,4-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butan-2-ylacetamide IUPAC Name: 2-[4-amino-5-(3,4-dimethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butan-2-ylacetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-sec-butyl-acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC(=C(C=C3)C)C)N)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC(=C(C=C3)C)C)N)C

InChI

InChI=1S/C20H26N6OS/c1-6-13(4)22-16(27)10-28-20-23-19-17(14(5)24-25-19)18(21)26(20)15-8-7-11(2)12(3)9-15/h7-9,13H,6,10,21H2,1-5H3,(H,22,27)