4-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one dihydrate

Systemtic Name: 4-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one dihydrate Openeye Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one dihydrate CAS Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone dihydrate IUPAC Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one dihydrate Traditional Name: 4-amino-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidin-2-one dihydrate Formula: C9H17N3O6 MolecularWeight: 263.24778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.O.O

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.O.O

InChI

InChI=1S/C9H13N3O4.2H2O/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);2*1H2