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

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

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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)Cl)C)N)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN6OS/c1-5-11(3)22-15(27)9-28-19-23-18-16(12(4)24-25-18)17(21)26(19)13-6-7-14(20)10(2)8-13/h6-8,11H,5,9,21H2,1-4H3,(H,22,27)