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

Systemtic Name: 1-[3-[2-(4-chloranylphenoxy)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[2-(4-chlorophenoxy)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[2-(4-chlorophenoxy)ethylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[2-(4-chlorophenoxy)ethylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[2-(4-chlorophenoxy)ethylthio]propyl]-3,7-dimethyl-xanthine Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-21-12-20-16-15(21)17(24)23(18(25)22(16)2)8-3-10-27-11-9-26-14-6-4-13(19)5-7-14/h4-7,12H,3,8-11H2,1-2H3