7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-8-(diethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-(diethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-8-(diethylamino)-1,3-dimethyl-xanthine Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H33N5O3/c1-5-27(6-2)21-24-19-18(20(30)26(4)22(31)25(19)3)28(21)13-17(29)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-16H,5-13H2,1-4H3