3,7-dihydropurine-2,6-dione; 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 3,7-dihydropurine-2,6-dione; 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 3,7-dihydropurine-2,6-dione; 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 3,7-dihydropurine-2,6-dione; 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 3,7-dihydropurine-2,6-dione; 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidine-2,4-quinone; xanthine Formula: C24H28N10O13 MolecularWeight: 664.53832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O.C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O.C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H12N4O5.C9H12N2O6.C5H4N4O2/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;10-4-2-3(7-1-6-2)8-5(11)9-4/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);1H,(H3,6,7,8,9,10,11)