6-(pyridin-2-ylmethylsulfanyl)-7H-purine

Systemtic Name: 6-(pyridin-2-ylmethylsulfanyl)-7H-purine Openeye Name: 6-(2-pyridylmethylsulfanyl)-7H-purine CAS Name: 6-(2-pyridinylmethylthio)-7H-purine IUPAC Name: 6-(pyridin-2-ylmethylsulfanyl)-7H-purine Traditional Name: 6-(2-pyridylmethylthio)-7H-purine Formula: C11H9N5S MolecularWeight: 243.28766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C11H9N5S/c1-2-4-12-8(3-1)5-17-11-9-10(14-6-13-9)15-7-16-11/h1-4,6-7H,5H2,(H,13,14,15,16)