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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-butylacetamide IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-butyl-acetamide Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6OS/c1-4-5-9-21-15(26)11-27-19-22-18-16(13(3)23-24-18)17(20)25(19)14-8-6-7-12(2)10-14/h6-8,10H,4-5,9,11,20H2,1-3H3,(H,21,26)