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

Systemtic Name: (phenylmethyl) 2-[7-(2-ethoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-(2-ethoxyethyl)-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid benzyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H22N4O5S/c1-3-27-10-9-23-15-16(22(2)18(26)21-17(15)25)20-19(23)29-12-14(24)28-11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,21,25,26)