(phenylmethyl) 2-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]thio]acetic acid benzyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CCOC

InChI

InChI=1S/C18H20N4O5S/c1-21-15-14(16(24)20-17(21)25)22(8-9-26-2)18(19-15)28-11-13(23)27-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,20,24,25)