6-(pyridin-4-ylmethyl)-1,7-dihydropurine-2-thione

Systemtic Name: 6-(pyridin-4-ylmethyl)-1,7-dihydropurine-2-thione Openeye Name: 6-(4-pyridylmethyl)-1,7-dihydropurine-2-thione CAS Name: 6-(pyridin-4-ylmethyl)-1,7-dihydropurine-2-thione IUPAC Name: 6-(pyridin-4-ylmethyl)-1,7-dihydropurine-2-thione Traditional Name: 6-(4-pyridylmethyl)-1,7-dihydropurine-2-thione Formula: C11H9N5S MolecularWeight: 243.28766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=C3C(=NC(=S)N2)N=CN3

Isomeric SMILES

C1=CN=CC=C1CC2=C3C(=NC(=S)N2)N=CN3

InChI

InChI=1S/C11H9N5S/c17-11-15-8(5-7-1-3-12-4-2-7)9-10(16-11)14-6-13-9/h1-4,6H,5H2,(H2,13,14,15,16,17)