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

Systemtic Name: 4-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(4-bromophenyl)methylsulfanyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-bromophenyl)methylthio]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(4-bromobenzyl)thio]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C19H15BrN4S MolecularWeight: 411.3182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H15BrN4S/c1-13-2-8-16(9-3-13)24-18-17(10-23-24)19(22-12-21-18)25-11-14-4-6-15(20)7-5-14/h2-10,12H,11H2,1H3