6-[[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-8-yl]-methyl-amino]purine-2-thione

Systemtic Name: 6-[[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-8-yl]-methyl-amino]purine-2-thione Openeye Name: 6-[[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]-methyl-amino]purine-2-thione CAS Name: 6-[[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]-methylamino]-2-purinethione IUPAC Name: 6-[[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]-methylamino]purine-2-thione Traditional Name: 6-[[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=NC(=S)N=C2C1=NC=N2)C3=NC4=CN=CN=C4N3C5CC(C(O5)CO)O

Isomeric SMILES

CN(C1=NC(=S)N=C2C1=NC=N2)C3=NC4=CN=CN=C4N3C5CC(C(O5)CO)O

InChI

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