8-[(4-methoxyphenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(p-anisylthio)xanthine Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H18N4O3S/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)24-9-10-5-7-11(23-4)8-6-10/h5-8H,9H2,1-4H3