3,7-dihydropurine-2,6-dione; 1H-pyrimidine-2,4-dione

Systemtic Name: 3,7-dihydropurine-2,6-dione; 1H-pyrimidine-2,4-dione Openeye Name: 3,7-dihydropurine-2,6-dione; 1H-pyrimidine-2,4-dione CAS Name: 3,7-dihydropurine-2,6-dione; 1H-pyrimidine-2,4-dione IUPAC Name: 3,7-dihydropurine-2,6-dione; 1H-pyrimidine-2,4-dione Traditional Name: uracil; xanthine Formula: C9H8N6O4 MolecularWeight: 264.19762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=O)NC1=O.C1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

C1=CNC(=O)NC1=O.C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C5H4N4O2.C4H4N2O2/c10-4-2-3(7-1-6-2)8-5(11)9-4;7-3-1-2-5-4(8)6-3/h1H,(H3,6,7,8,9,10,11);1-2H,(H2,5,6,7,8)