1,3-dimethyl-8-phenethylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenethylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-phenethylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenethylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenethylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(phenethylthio)-7-(3-phenylpropyl)xanthine Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-26-21-20(22(29)27(2)24(26)30)28(16-9-14-18-10-5-3-6-11-18)23(25-21)31-17-15-19-12-7-4-8-13-19/h3-8,10-13H,9,14-17H2,1-2H3