8-(cyclohexylamino)-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(2,5-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(2,5-dimethoxybenzyl)-1,3-dimethyl-xanthine Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C22H29N5O4/c1-25-19-18(20(28)26(2)22(25)29)27(21(24-19)23-15-8-6-5-7-9-15)13-14-12-16(30-3)10-11-17(14)31-4/h10-12,15H,5-9,13H2,1-4H3,(H,23,24)