4-chloranyl-3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-chloranyl-3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-chloro-3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-chloro-3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-chloro-3,6-dimethyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-chloro-1-(4-mesylphenyl)-3,6-dimethyl-pyrazolo[3,4-d]pyrimidine Formula: C14H13ClN4O2S MolecularWeight: 336.79662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)Cl)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)Cl)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C14H13ClN4O2S/c1-8-12-13(15)16-9(2)17-14(12)19(18-8)10-4-6-11(7-5-10)22(3,20)21/h4-7H,1-3H3