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

Systemtic Name: 7-(phenylmethyl)-1,3-bis(trideuteriomethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis(trideuteriomethyl)purine-2,6-dione CAS Name: 7-(phenylmethyl)-1,3-bis(trideuteriomethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis(trideuteriomethyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-bis(trideuteriomethyl)xanthine Formula: C14H14N4O2 MolecularWeight: 276.323531

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

[2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/i1D3,2D3