4-[(4-chlorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-1-(3-pyridylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-chlorophenyl)methylthio]-1-(3-pyridinylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(4-chlorobenzyl)thio]-1-(3-pyridylmethyl)pyrazolo[3,4-d]pyrimidine Formula: C18H14ClN5S MolecularWeight: 367.85526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5S/c19-15-5-3-13(4-6-15)11-25-18-16-9-23-24(17(16)21-12-22-18)10-14-2-1-7-20-8-14/h1-9,12H,10-11H2