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

Systemtic Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-18-9-11-19(12-10-18)17-31-23-24(29(2)27(33)30(3)25(23)32)28-26(31)34-22-15-13-21(14-16-22)20-7-5-4-6-8-20/h9-16,20H,4-8,17H2,1-3H3