5-[[4-[2-(6-phenylsulfanylpurin-9-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[4-[2-(6-phenylsulfanylpurin-9-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[4-[2-(6-phenylsulfanylpurin-9-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione CAS Name: 5-[[4-[2-[6-(phenylthio)-9-purinyl]ethoxy]phenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 5-[[4-[2-(6-phenylsulfanylpurin-9-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[4-[2-[6-(phenylthio)purin-9-yl]ethoxy]benzyl]thiazolidine-2,4-quinone Formula: C23H19N5O3S2 MolecularWeight: 477.55866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC3=C2N=CN3CCOC4=CC=C(C=C4)CC5C(=O)NC(=O)S5

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC3=C2N=CN3CCOC4=CC=C(C=C4)CC5C(=O)NC(=O)S5

InChI

InChI=1S/C23H19N5O3S2/c29-21-18(33-23(30)27-21)12-15-6-8-16(9-7-15)31-11-10-28-14-26-19-20(28)24-13-25-22(19)32-17-4-2-1-3-5-17/h1-9,13-14,18H,10-12H2,(H,27,29,30)