8-(1-adamantylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1-adamantylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1-adamantylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-adamantylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1-adamantylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1-adamantylamino)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)OC

InChI

InChI=1S/C25H31N5O3/c1-28-21-20(22(31)29(2)24(28)32)30(14-15-4-6-19(33-3)7-5-15)23(26-21)27-25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,16-18H,8-14H2,1-3H3,(H,26,27)