1,3-dimethyl-7-(5H-1,2,3,4-tetrazol-5-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(5H-1,2,3,4-tetrazol-5-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(5H-tetrazol-5-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(5H-tetrazol-5-ylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(5H-tetrazol-5-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(5H-tetrazol-5-ylmethyl)xanthine Formula: C9H10N8O2 MolecularWeight: 262.2281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3N=NN=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3N=NN=N3

InChI

InChI=1S/C9H10N8O2/c1-15-7-6(8(18)16(2)9(15)19)17(4-10-7)3-5-11-13-14-12-5/h4-5H,3H2,1-2H3