1-methyl-4-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[(4-tosylbenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H18N4O2S2/c1-14-3-7-16(8-4-14)28(25,26)17-9-5-15(6-10-17)12-27-20-18-11-23-24(2)19(18)21-13-22-20/h3-11,13H,12H2,1-2H3