ethyl 2-[[1-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-2,6-bis(oxidanylidene)-3H-purin-8-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-[[1-methyl-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-2,6-bis(oxidanylidene)-3H-purin-8-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[7-[2-hydroxy-3-(1-naphthyloxy)propyl]-1-methyl-2,6-dioxo-3H-purin-8-yl]sulfanyl]propanoate CAS Name: 2-[[7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-1-methyl-2,6-dioxo-3H-purin-8-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1-methyl-2,6-dioxo-3H-purin-8-yl]sulfanyl]propanoate Traditional Name: 2-[[7-[2-hydroxy-3-(1-naphthoxy)propyl]-2,6-diketo-1-methyl-3H-purin-8-yl]thio]propionic acid ethyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)N(C(=O)N2)C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C24H26N4O6S/c1-4-33-22(31)14(2)35-24-26-20-19(21(30)27(3)23(32)25-20)28(24)12-16(29)13-34-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16,29H,4,12-13H2,1-3H3,(H,25,32)