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

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-8-(2-methoxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-8-(2-methoxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-(2-methoxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-(2-methoxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-8-(2-methoxyethylamino)-1,3-dimethyl-xanthine Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCOC)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N5O4/c1-25-18-17(19(29)26(2)21(25)30)27(20(24-18)23-4-5-31-3)12-16(28)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,4-12H2,1-3H3,(H,23,24)