7-azanyl-1,3-dimethyl-purine-2,6-dione hydrate

Systemtic Name: 7-azanyl-1,3-dimethyl-purine-2,6-dione hydrate Openeye Name: 7-amino-1,3-dimethyl-purine-2,6-dione hydrate CAS Name: 7-amino-1,3-dimethylpurine-2,6-dione hydrate IUPAC Name: 7-amino-1,3-dimethylpurine-2,6-dione hydrate Traditional Name: 7-amino-1,3-dimethyl-xanthine hydrate Formula: C7H11N5O3 MolecularWeight: 213.19394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)N.O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)N.O

InChI

InChI=1S/C7H9N5O2.H2O/c1-10-5-4(12(8)3-9-5)6(13)11(2)7(10)14;/h3H,8H2,1-2H3;1H2