2-azanyl-8-[(2R,6S,7R)-7-(hydroxymethyl)-6-oxidanyl-oxepan-2-yl]-3,7-dihydropurine-6-thione

Systemtic Name: 2-azanyl-8-[(2R,6S,7R)-7-(hydroxymethyl)-6-oxidanyl-oxepan-2-yl]-3,7-dihydropurine-6-thione Openeye Name: 2-amino-8-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)oxepan-2-yl]-3,7-dihydropurine-6-thione CAS Name: 2-amino-8-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)-2-oxepanyl]-3,7-dihydropurine-6-thione IUPAC Name: 2-amino-8-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)oxepan-2-yl]-3,7-dihydropurine-6-thione Traditional Name: 2-amino-8-[(2R,6S,7R)-6-hydroxy-7-methylol-oxepan-2-yl]-3,7-dihydropurine-6-thione Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC(C1)C2=NC3=C(N2)C(=S)N=C(N3)N)CO)O

Isomeric SMILES

C1C[C@@H]([C@H](O[C@H](C1)C2=NC3=C(N2)C(=S)N=C(N3)N)CO)O

InChI

InChI=1S/C12H17N5O3S/c13-12-16-10-8(11(21)17-12)14-9(15-10)6-3-1-2-5(19)7(4-18)20-6/h5-7,18-19H,1-4H2,(H4,13,14,15,16,17,21)/t5-,6+,7+/m0/s1