1-(2-hydroxyethyl)-3,7-dimethyl-8-phenylsulfanyl-purine-2,6-dione

Systemtic Name: 1-(2-hydroxyethyl)-3,7-dimethyl-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 1-(2-hydroxyethyl)-3,7-dimethyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 1-(2-hydroxyethyl)-3,7-dimethyl-8-(phenylthio)purine-2,6-dione IUPAC Name: 1-(2-hydroxyethyl)-3,7-dimethyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 1-(2-hydroxyethyl)-3,7-dimethyl-8-(phenylthio)xanthine Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)CCO)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)CCO)C

InChI

InChI=1S/C15H16N4O3S/c1-17-11-12(16-14(17)23-10-6-4-3-5-7-10)18(2)15(22)19(8-9-20)13(11)21/h3-7,20H,8-9H2,1-2H3