4-[(2-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2-chlorophenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2-chlorobenzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H13ClN4S MolecularWeight: 352.84062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4S/c19-16-9-5-4-6-13(16)11-24-18-15-10-22-23(17(15)20-12-21-18)14-7-2-1-3-8-14/h1-10,12H,11H2