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

Systemtic Name: methyl (2R)-2-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylpropanoate CAS Name: (2R)-2-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]thio]propionic acid methyl ester Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O5S/c1-7(11(19)22-4)23-13-14-9-8(17(13)5-6-21-3)10(18)15-12(20)16(9)2/h7H,5-6H2,1-4H3,(H,15,18,20)/t7-/m1/s1