[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-(2-oxothiazolidin-3-yl)propanoate CAS Name: 3-(2-oxo-3-thiazolidinyl)propanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate Traditional Name: 3-(2-ketothiazolidin-3-yl)propionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCN3CCSC3=O)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCN3CCSC3=O)CC

InChI

InChI=1S/C18H25N5O5S/c1-3-5-7-23-15-14(16(25)20-17(23)26)22(4-2)12(19-15)11-28-13(24)6-8-21-9-10-29-18(21)27/h3-11H2,1-2H3,(H,20,25,26)