8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2-hydroxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-hydroxyethylthio)-1,3-dimethyl-xanthine Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC=C3

InChI

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