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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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