8-imidazol-1-yl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-imidazol-1-yl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-imidazol-1-yl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1-imidazolyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-imidazol-1-yl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-imidazol-1-yl-1,3,7-trimethyl-xanthine Formula: C11H12N6O2 MolecularWeight: 260.25198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3C=CN=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3C=CN=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H12N6O2/c1-14-7-8(13-10(14)17-5-4-12-6-17)15(2)11(19)16(3)9(7)18/h4-6H,1-3H3