1-azanyl-3,7-bis(trideuteriomethyl)purine-2,6-dione

Systemtic Name: 1-azanyl-3,7-bis(trideuteriomethyl)purine-2,6-dione Openeye Name: 1-amino-3,7-bis(trideuteriomethyl)purine-2,6-dione CAS Name: 1-amino-3,7-bis(trideuteriomethyl)purine-2,6-dione IUPAC Name: 1-amino-3,7-bis(trideuteriomethyl)purine-2,6-dione Traditional Name: 1-amino-3,7-bis(trideuteriomethyl)xanthine Formula: C7H9N5O2 MolecularWeight: 201.215631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])N

InChI

InChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)12(8)7(14)11(5)2/h3H,8H2,1-2H3/i1D3,2D3