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

Systemtic Name: 1-(3-chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chlorophenyl)-4-(3-pyridylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-(3-pyridinylmethylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chlorophenyl)-4-(3-pyridylmethylthio)pyrazolo[3,4-d]pyrimidine Formula: C17H12ClN5S MolecularWeight: 353.82868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC=N3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC=N3)SCC4=CN=CC=C4

InChI

InChI=1S/C17H12ClN5S/c18-13-4-1-5-14(7-13)23-16-15(9-22-23)17(21-11-20-16)24-10-12-3-2-6-19-8-12/h1-9,11H,10H2