methyl 2-[8-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoate

Systemtic Name: methyl 2-[8-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoate Openeye Name: methyl 2-[8-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3-dimethyl-2,6-dioxo-purin-9-yl]acetate CAS Name: 2-[8-[(2-methoxy-2-oxoethyl)thio]-1,3-dimethyl-2,6-dioxo-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(2-methoxy-2-oxoethyl)sulfanyl-1,3-dimethyl-2,6-dioxopurin-9-yl]acetate Traditional Name: 2-[2,6-diketo-8-[(2-keto-2-methoxy-ethyl)thio]-1,3-dimethyl-purin-9-yl]acetic acid methyl ester Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)OC)SCC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)OC)SCC(=O)OC

InChI

InChI=1S/C13H16N4O6S/c1-15-10-9(11(20)16(2)13(15)21)14-12(24-6-8(19)23-4)17(10)5-7(18)22-3/h5-6H2,1-4H3