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

Systemtic Name: 5-[[4-[2-(6-methoxypurin-9-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[4-[2-(6-methoxypurin-9-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione CAS Name: 5-[[4-[2-(6-methoxy-9-purinyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 5-[[4-[2-(6-methoxypurin-9-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[4-[2-(6-methoxypurin-9-yl)ethoxy]benzyl]thiazolidine-2,4-quinone Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2CCOC3=CC=C(C=C3)CC4C(=O)NC(=O)S4

Isomeric SMILES

COC1=NC=NC2=C1N=CN2CCOC3=CC=C(C=C3)CC4C(=O)NC(=O)S4

InChI

InChI=1S/C18H17N5O4S/c1-26-17-14-15(19-9-20-17)23(10-21-14)6-7-27-12-4-2-11(3-5-12)8-13-16(24)22-18(25)28-13/h2-5,9-10,13H,6-8H2,1H3,(H,22,24,25)