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

Systemtic Name: 8-(cyclohexylamino)-1,3-dimethyl-7-[(3-methyl-4-oxidanyl-phenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(4-hydroxy-3-methyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(4-hydroxy-3-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(4-hydroxy-3-methylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(4-hydroxy-3-methyl-benzyl)-1,3-dimethyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-13-11-14(9-10-16(13)27)12-26-17-18(24(2)21(29)25(3)19(17)28)23-20(26)22-15-7-5-4-6-8-15/h9-11,15,27H,4-8,12H2,1-3H3,(H,22,23)