1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione; 7H-purine

Systemtic Name: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione; 7H-purine Openeye Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; 7H-purine CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione; 7H-purine IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 7H-purine Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidine-2,4-quinone; 7H-purine Formula: C14H16N6O6 MolecularWeight: 364.31344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O.C1=C2C(=NC=N1)N=CN2

Isomeric SMILES

C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O.C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C9H12N2O6.C5H4N4/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;1-4-5(8-2-6-1)9-3-7-4/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1-3H,(H,6,7,8,9)