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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 8-(isobutylthio)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-12(2)11-27-19-20-16-15(17(24)21-18(25)22(16)3)23(19)10-9-13-5-7-14(26-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,21,24,25)