1-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-3,3-dimethyl-butan-2-one Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN4OS/c1-17(2,3)14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-6-4-11(18)5-7-12/h4-8,10H,9H2,1-3H3