4-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2,6-dichlorophenyl)methylsulfanyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2,6-dichlorophenyl)methylthio]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2,6-dichlorobenzyl)thio]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C19H14Cl2N4S MolecularWeight: 401.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C19H14Cl2N4S/c1-12-5-7-13(8-6-12)25-18-14(9-24-25)19(23-11-22-18)26-10-15-16(20)3-2-4-17(15)21/h2-9,11H,10H2,1H3