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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C23H24N6OS MolecularWeight: 432.54126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C)N

InChI

InChI=1S/C23H24N6OS/c1-15-7-6-10-18(13-15)29-21(24)20-16(2)27-28-22(20)26-23(29)31-14-19(30)25-12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14,24H2,1-2H3,(H,25,30)