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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylthio)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-25-19-18(20(27)24-21(25)28)26(13-12-15-8-10-17(29-2)11-9-15)22(23-19)30-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,24,27,28)