7-[(8-oxidanylidene-7,9-dihydropurin-2-yl)oxy]-3H-purine-2,6-dione

Systemtic Name: 7-[(8-oxidanylidene-7,9-dihydropurin-2-yl)oxy]-3H-purine-2,6-dione Openeye Name: 7-[(8-oxo-7,9-dihydropurin-2-yl)oxy]-3H-purine-2,6-dione CAS Name: 7-[(8-oxo-7,9-dihydropurin-2-yl)oxy]-3H-purine-2,6-dione IUPAC Name: 7-[(8-oxo-7,9-dihydropurin-2-yl)oxy]-3H-purine-2,6-dione Traditional Name: 7-[(8-keto-7,9-dihydropurin-2-yl)oxy]xanthine Formula: C10H6N8O4 MolecularWeight: 302.20584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=N1)ON3C=NC4=C3C(=O)NC(=O)N4)NC(=O)N2

Isomeric SMILES

C1=C2C(=NC(=N1)ON3C=NC4=C3C(=O)NC(=O)N4)NC(=O)N2

InChI

InChI=1S/C10H6N8O4/c19-7-4-6(15-9(21)17-7)12-2-18(4)22-10-11-1-3-5(16-10)14-8(20)13-3/h1-2H,(H2,15,17,19,21)(H2,11,13,14,16,20)