1-(5-oxidanylhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione

Systemtic Name: 1-(5-oxidanylhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)xanthine Formula: C13H20N4O3 MolecularWeight: 286.359871

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i2D3,3D3