7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C16H23N5O3/c1-10-6-5-7-11(2)21(10)12(22)8-20-9-17-14-13(20)15(23)19(4)16(24)18(14)3/h9-11H,5-8H2,1-4H3/t10-,11-/m1/s1