7-(2-methoxyethyl)-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CCOC

InChI

InChI=1S/C16H18N4O3S/c1-19-13-12(14(21)18-15(19)22)20(8-9-23-2)16(17-13)24-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,21,22)