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

Systemtic Name: 8-(cyclohexylamino)-7-[(3,5-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(3,5-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(3,5-dimethylbenzyl)-1,3-dimethyl-xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-14-10-15(2)12-16(11-14)13-27-18-19(25(3)22(29)26(4)20(18)28)24-21(27)23-17-8-6-5-7-9-17/h10-12,17H,5-9,13H2,1-4H3,(H,23,24)