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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C20H15BrClN5OS MolecularWeight: 488.788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15BrClN5OS/c1-12-8-13(21)2-7-17(12)26-18(28)10-29-20-16-9-25-27(19(16)23-11-24-20)15-5-3-14(22)4-6-15/h2-9,11H,10H2,1H3,(H,26,28)