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

Systemtic Name: 1-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(2-chlorophenyl)methylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(2-chlorobenzyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=CC=CC=C3Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=CC=CC=C3Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-20-11-19-15-14(20)16(23)22(17(24)21(15)2)8-5-9-25-10-12-6-3-4-7-13(12)18/h3-4,6-7,11H,5,8-10H2,1-2H3