1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione; 7H-purine

Systemtic Name: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione; 7H-purine Openeye Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; 7H-purine CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione; 7H-purine IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 7H-purine Traditional Name: 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidine-2,4-quinone; 7H-purine Formula: C14H16N6O5 MolecularWeight: 348.31404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=O)NC2=O)CO)O.C1=C2C(=NC=N1)N=CN2

Isomeric SMILES

C1C(C(OC1N2C=CC(=O)NC2=O)CO)O.C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C9H12N2O5.C5H4N4/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;1-4-5(8-2-6-1)9-3-7-4/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15);1-3H,(H,6,7,8,9)