ethyl 2-[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-(2-hydroxyethyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetic acid ethyl ester Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O5S/c1-4-22-8(19)7-23-12-14-10-9(17(12)5-6-18)11(20)16(3)13(21)15(10)2/h18H,4-7H2,1-3H3