8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-xanthine Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1OC3=CC=C(C=C3)C4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1OC3=CC=C(C=C3)C4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N4O3/c1-4-14-26-18-19(24(2)22(28)25(3)20(18)27)23-21(26)29-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h10-13,15H,4-9,14H2,1-3H3