9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione; 7H-purine

Systemtic Name: 9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione; 7H-purine Openeye Name: 9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione; 7H-purine CAS Name: 9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-2,6-dione; 7H-purine IUPAC Name: 9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione; 7H-purine Traditional Name: 9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)xanthine; 7H-purine Formula: C15H16N8O5 MolecularWeight: 388.33814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=O)NC3=O)CO)O.C1=C2C(=NC=N1)N=CN2

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=O)NC3=O)CO)O.C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C10H12N4O5.C5H4N4/c15-2-5-4(16)1-6(19-5)14-3-11-7-8(14)12-10(18)13-9(7)17;1-4-5(8-2-6-1)9-3-7-4/h3-6,15-16H,1-2H2,(H2,12,13,17,18);1-3H,(H,6,7,8,9)