8-deuterio-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-deuterio-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-deuterio-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-deuterio-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-deuterio-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-deuterio-1,3,7-trimethyl-xanthine Formula: C8H10N4O2 MolecularWeight: 195.196762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

[2H]C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i4D