1,3-dimethyl-8-morpholin-4-yl-7-[2-oxidanyl-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[2-oxidanyl-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-[3-(phenylthio)propyl]-1-piperazinyl]propyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-[3-(phenylthio)propyl]piperazino]propyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C27H39N7O4S MolecularWeight: 557.70806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(CN4CCN(CC4)CCCSC5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(CN4CCN(CC4)CCCSC5=CC=CC=C5)O

InChI

InChI=1S/C27H39N7O4S/c1-29-24-23(25(36)30(2)27(29)37)34(26(28-24)33-14-16-38-17-15-33)20-21(35)19-32-12-10-31(11-13-32)9-6-18-39-22-7-4-3-5-8-22/h3-5,7-8,21,35H,6,9-20H2,1-2H3