8-[(2R,6S,7R)-7-(hydroxymethyl)-6-oxidanyl-oxepan-2-yl]-3,7-dihydropurin-6-one

Systemtic Name: 8-[(2R,6S,7R)-7-(hydroxymethyl)-6-oxidanyl-oxepan-2-yl]-3,7-dihydropurin-6-one Openeye Name: 8-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)oxepan-2-yl]-3,7-dihydropurin-6-one CAS Name: 8-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)-2-oxepanyl]-3,7-dihydropurin-6-one IUPAC Name: 8-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)oxepan-2-yl]-3,7-dihydropurin-6-one Traditional Name: 8-[(2R,6S,7R)-6-hydroxy-7-methylol-oxepan-2-yl]-3,7-dihydropurin-6-one Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC(C1)C2=NC3=C(N2)C(=O)N=CN3)CO)O

Isomeric SMILES

C1C[C@@H]([C@H](O[C@H](C1)C2=NC3=C(N2)C(=O)N=CN3)CO)O

InChI

InChI=1S/C12H16N4O4/c17-4-8-6(18)2-1-3-7(20-8)10-15-9-11(16-10)13-5-14-12(9)19/h5-8,17-18H,1-4H2,(H2,13,14,15,16,19)/t6-,7+,8+/m0/s1