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

Systemtic Name: 1-[3-[1-(2-chlorophenyl)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[1-(2-chlorophenyl)ethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[1-(2-chlorophenyl)ethylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[1-(2-chlorophenyl)ethylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[1-(2-chlorophenyl)ethylthio]propyl]-3,7-dimethyl-xanthine Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C1=CC=CC=C1Cl)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C18H21ClN4O2S/c1-12(13-7-4-5-8-14(13)19)26-10-6-9-23-17(24)15-16(20-11-21(15)2)22(3)18(23)25/h4-5,7-8,11-12H,6,9-10H2,1-3H3