9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one hydrate

Systemtic Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one hydrate Openeye Name: 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one hydrate CAS Name: 9-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one hydrate IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one hydrate Traditional Name: 9-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]-3H-purin-6-one hydrate Formula: C10H14N4O4 MolecularWeight: 254.24256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO)N2C=NC3=C2NC=NC3=O.O

Isomeric SMILES

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O.O

InChI

InChI=1S/C10H12N4O3.H2O/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16;/h4-7,15H,1-3H2,(H,11,12,16);1H2/t6-,7+;/m0./s1