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

Systemtic Name: 7-[3-(4-chloranylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)propyl]-1,3-dimethyl-xanthine Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN4O3/c1-19-14-13(15(22)20(2)16(19)23)21(10-18-14)8-3-9-24-12-6-4-11(17)5-7-12/h4-7,10H,3,8-9H2,1-2H3