8-(2-hydroxyethylsulfanyl)-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-3-methyl-7-phenethyl-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)SCCO)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3S/c1-19-13-12(14(22)18-15(19)23)20(16(17-13)24-10-9-21)8-7-11-5-3-2-4-6-11/h2-6,21H,7-10H2,1H3,(H,18,22,23)