4-[(3-fluorophenyl)methylsulfanyl]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-[(3-fluorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(3-fluorophenyl)methylthio]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-[(3-fluorophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-[(3-fluorobenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C19H15FN4S MolecularWeight: 350.412603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C19H15FN4S/c20-16-8-4-7-15(9-16)12-25-19-17-10-23-24(18(17)21-13-22-19)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2