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

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3/c1-21-16-15(17(25)22(2)18(21)26)23(10-20-16)9-14(24)19-6-11-3-12(7-19)5-13(4-11)8-19/h10-13H,3-9H2,1-2H3