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

Systemtic Name: 1-[3-[2-(4-chloranylphenoxy)ethyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[2-(4-chlorophenoxy)ethyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[2-(4-chlorophenoxy)ethyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[2-(4-chlorophenoxy)ethyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[2-(4-chlorophenoxy)ethyl-methyl-amino]propyl]-3,7-dimethyl-xanthine Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClN5O3/c1-22(11-12-28-15-7-5-14(20)6-8-15)9-4-10-25-18(26)16-17(21-13-23(16)2)24(3)19(25)27/h5-8,13H,4,9-12H2,1-3H3