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

Systemtic Name: 1,3-dimethyl-8-methylsulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(methylthio)xanthine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-17-12-11(13(20)18(2)15(17)21)19(14(16-12)22-3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3