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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(m-tolyl)acetamide Formula: C21H19BrN6OS MolecularWeight: 483.38416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C21H19BrN6OS/c1-12-4-3-5-15(10-12)24-17(29)11-30-21-25-20-18(13(2)26-27-20)19(23)28(21)16-8-6-14(22)7-9-16/h3-10H,11,23H2,1-2H3,(H,24,29)