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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O3S/c1-18-12-11(13(21)17-14(18)22)19(15(16-12)23-8-7-20)9-10-5-3-2-4-6-10/h2-6,20H,7-9H2,1H3,(H,17,21,22)