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

Systemtic Name: 2-[4-azanyl-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[4-amino-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butylacetamide IUPAC Name: 2-[4-amino-5-(2-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-acetamide Formula: C18H21ClN6OS MolecularWeight: 404.91694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=CC=C3Cl)N)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=CC=C3Cl)N)C

InChI

InChI=1S/C18H21ClN6OS/c1-3-4-9-21-14(26)10-27-18-22-17-15(11(2)23-24-17)16(20)25(18)13-8-6-5-7-12(13)19/h5-8H,3-4,9-10,20H2,1-2H3,(H,21,26)