3-methyl-7-(3-phenylpropyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-phenylpropyl)-8-(3-phenylpropylthio)xanthine Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-27-21-20(22(29)26-23(27)30)28(16-8-14-18-10-4-2-5-11-18)24(25-21)31-17-9-15-19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H,26,29,30)