8-(4-chloranyl-2-cyclohexyl-phenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-2-cyclohexyl-phenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=C(C=C(C=C4)Cl)C5CCCCC5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=C(C=C(C=C4)Cl)C5CCCCC5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C27H29ClN4O3/c1-17-9-11-18(12-10-17)16-32-23-24(30(2)27(34)31(3)25(23)33)29-26(32)35-22-14-13-20(28)15-21(22)19-7-5-4-6-8-19/h9-15,19H,4-8,16H2,1-3H3