8-methylsulfanyl-1-oxidanyl-7-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 8-methylsulfanyl-1-oxidanyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione CAS Name: 1-hydroxy-8-(methylthio)-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-1-hydroxy-8-(methylthio)xanthine Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)O

Isomeric SMILES

CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)O

InChI

InChI=1S/C13H12N4O3S/c1-21-13-15-10-9(11(18)17(20)12(19)14-10)16(13)7-8-5-3-2-4-6-8/h2-6,20H,7H2,1H3,(H,14,19)