N-(4-bromanyl-3-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C15H14BrN5OS MolecularWeight: 392.27356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)Br

InChI

InChI=1S/C15H14BrN5OS/c1-9-5-10(3-4-12(9)16)20-13(22)7-23-15-11-6-19-21(2)14(11)17-8-18-15/h3-6,8H,7H2,1-2H3,(H,20,22)