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

Systemtic Name: 3-methyl-8-methylsulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(methylthio)xanthine Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2S/c1-17-11-10(12(19)16-13(17)20)18(14(15-11)21-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,16,19,20)