8-(cyclohexylamino)-7-[(4-methoxy-3-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-[(4-methoxy-3-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(4-methoxy-3-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(4-methoxy-3-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(4-methoxy-3-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(4-methoxy-3-methyl-benzyl)-1,3-dimethyl-xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C)OC

InChI

InChI=1S/C22H29N5O3/c1-14-12-15(10-11-17(14)30-4)13-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)23-16-8-6-5-7-9-16/h10-12,16H,5-9,13H2,1-4H3,(H,23,24)