1-[3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(5-acetyl-2-methoxyphenyl)methylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(5-acetyl-2-methoxy-benzyl)thio]propyl]-3,7-dimethyl-xanthine Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H24N4O4S/c1-13(25)14-6-7-16(28-4)15(10-14)11-29-9-5-8-24-19(26)17-18(21-12-22(17)2)23(3)20(24)27/h6-7,10,12H,5,8-9,11H2,1-4H3