7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H31N5O4/c1-25-19-18(20(30)26(2)22(25)31)28(21(24-19)27-3-5-32-6-4-27)13-17(29)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-16H,3-13H2,1-2H3