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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br)C)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br)C)N

InChI

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