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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C19H14Cl2N4S/c20-16-7-4-8-17(21)15(16)11-26-19-14-9-24-25(18(14)22-12-23-19)10-13-5-2-1-3-6-13/h1-9,12H,10-11H2