7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 8-(isobutylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26N4O3S/c1-13(2)12-28-19-21-17-16(18(25)23(4)20(26)22(17)3)24(19)11-10-14-6-8-15(27-5)9-7-14/h6-9,13H,10-12H2,1-5H3