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

Systemtic Name: 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(3,4-dichlorophenyl)methylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(3,4-dichlorobenzyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C17H18Cl2N4O2S MolecularWeight: 413.32142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4O2S/c1-21-10-20-15-14(21)16(24)23(17(25)22(15)2)6-3-7-26-9-11-4-5-12(18)13(19)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3