1-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-bromophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-bromophenyl)-4-[(2,5-dimethylbenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C20H17BrN4S MolecularWeight: 425.34478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4S/c1-13-3-4-14(2)15(9-13)11-26-20-18-10-24-25(19(18)22-12-23-20)17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3