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

Systemtic Name: 7-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-adamantyl)-2-oxo-ethyl]-8-(cyclohexylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-adamantyl)-2-oxoethyl]-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-adamantyl)-2-keto-ethyl]-8-(cyclohexylamino)-1,3-dimethyl-xanthine Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H35N5O3/c1-28-21-20(22(32)29(2)24(28)33)30(23(27-21)26-18-6-4-3-5-7-18)14-19(31)25-11-15-8-16(12-25)10-17(9-15)13-25/h15-18H,3-14H2,1-2H3,(H,26,27)