N-(3-bromophenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-(3-bromophenyl)-6-methylsulfonyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-(6-mesyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C12H10BrN5O2S MolecularWeight: 368.2091

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(C=NN2)C(=N1)NC3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=NC2=C(C=NN2)C(=N1)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C12H10BrN5O2S/c1-21(19,20)12-16-10(9-6-14-18-11(9)17-12)15-8-4-2-3-7(13)5-8/h2-6H,1H3,(H2,14,15,16,17,18)