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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(phenylthio)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(phenylthio)xanthine Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O2S/c1-22-16-15(17(24)21-18(22)25)23(12-13-8-4-2-5-9-13)19(20-16)26-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,21,24,25)