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

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-8-bromo-1,3-dimethyl-xanthine Formula: C19H23BrN4O3 MolecularWeight: 435.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O3/c1-22-15-14(16(26)23(2)18(22)27)24(17(20)21-15)9-13(25)19-6-10-3-11(7-19)5-12(4-10)8-19/h10-12H,3-9H2,1-2H3