8-[[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-8-yl]-methyl-amino]purine-2-thione

Systemtic Name: 8-[[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-8-yl]-methyl-amino]purine-2-thione Openeye Name: 8-[[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]-methyl-amino]purine-2-thione CAS Name: 8-[[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]-methylamino]-2-purinethione IUPAC Name: 8-[[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]-methylamino]purine-2-thione Traditional Name: 8-[[9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-8-yl]-methyl-amino]purine-2-thione Formula: C16H15N9O3S MolecularWeight: 413.4138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=NC(=S)N=CC2=N1)C3=NC4=CN=CN=C4N3C5CC(C(O5)CO)O

Isomeric SMILES

CN(C1=NC2=NC(=S)N=CC2=N1)C3=NC4=CN=CN=C4N3C5CC(C(O5)CO)O

InChI

InChI=1S/C16H15N9O3S/c1-24(14-20-7-4-18-15(29)23-12(7)22-14)16-21-8-3-17-6-19-13(8)25(16)11-2-9(27)10(5-26)28-11/h3-4,6,9-11,26-27H,2,5H2,1H3