6-(pyridin-2-ylmethylsulfanyl)-3,7-dihydropurin-2-one

Systemtic Name: 6-(pyridin-2-ylmethylsulfanyl)-3,7-dihydropurin-2-one Openeye Name: 6-(2-pyridylmethylsulfanyl)-3,7-dihydropurin-2-one CAS Name: 6-(2-pyridinylmethylthio)-3,7-dihydropurin-2-one IUPAC Name: 6-(pyridin-2-ylmethylsulfanyl)-3,7-dihydropurin-2-one Traditional Name: 6-(2-pyridylmethylthio)-3,7-dihydropurin-2-one Formula: C11H9N5OS MolecularWeight: 259.28706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N5OS/c17-11-15-9-8(13-6-14-9)10(16-11)18-5-7-3-1-2-4-12-7/h1-4,6H,5H2,(H2,13,14,15,16,17)