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

Systemtic Name: ethyl 2-[2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C15H21N5O5S MolecularWeight: 383.42274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NCC(=O)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NCC(=O)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H21N5O5S/c1-5-20-11-12(18(3)15(24)19(4)13(11)23)17-14(20)26-8-9(21)16-7-10(22)25-6-2/h5-8H2,1-4H3,(H,16,21)