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

Systemtic Name: 3,7-dimethyl-8-phenacylsulfanyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(phenacylthio)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-(phenacylthio)xanthine Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O3S/c1-24-18-19(23-21(24)30-14-17(27)16-11-7-4-8-12-16)25(2)22(29)26(20(18)28)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3