3-bromanyl-6-methylsulfonyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-bromanyl-6-methylsulfonyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-3-bromo-6-methylsulfonyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-6-methylsulfonyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-3-bromo-6-methylsulfonylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-3-bromo-6-mesyl-pyrazolo[3,4-d]pyrimidine Formula: C13H11BrN4O2S MolecularWeight: 367.22104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2C(=N1)N(N=C2Br)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=NC=C2C(=N1)N(N=C2Br)CC3=CC=CC=C3

InChI

InChI=1S/C13H11BrN4O2S/c1-21(19,20)13-15-7-10-11(14)17-18(12(10)16-13)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3