8-[4-(1-adamantyl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[4-(1-adamantyl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-(1-adamantyl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-(1-adamantyl)phenoxy]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-(1-adamantyl)phenoxy]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-(1-adamantyl)phenoxy]-1,3,7-trimethyl-xanthine Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H28N4O3/c1-26-19-20(27(2)23(30)28(3)21(19)29)25-22(26)31-18-6-4-17(5-7-18)24-11-14-8-15(12-24)10-16(9-14)13-24/h4-7,14-16H,8-13H2,1-3H3