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

Systemtic Name: 1-phenyl-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-(3-pyridylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-(3-pyridinylmethylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(3-pyridylmethylthio)pyrazolo[3,4-d]pyrimidine Formula: C17H13N5S MolecularWeight: 319.38362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5S/c1-2-6-14(7-3-1)22-16-15(10-21-22)17(20-12-19-16)23-11-13-5-4-8-18-9-13/h1-10,12H,11H2