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

Systemtic Name: 3-methyl-8-phenethylsulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-phenethylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(phenethylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-phenethylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(phenethylthio)xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-24-18-17(19(26)23-20(24)27)25(14-16-10-6-3-7-11-16)21(22-18)28-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,23,26,27)