1-[6-(4-chloranylphenoxy)hexyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[6-(4-chloranylphenoxy)hexyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[6-(4-chlorophenoxy)hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[6-(4-chlorophenoxy)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[6-(4-chlorophenoxy)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[6-(4-chlorophenoxy)hexyl]-3,7-dimethyl-xanthine Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN4O3/c1-22-13-21-17-16(22)18(25)24(19(26)23(17)2)11-5-3-4-6-12-27-15-9-7-14(20)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3