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

Systemtic Name: ethyl 2-[2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NCC(=O)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NCC(=O)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O5S/c1-5-7-8-22-13-14(20(3)17(26)21(4)15(13)25)19-16(22)28-10-11(23)18-9-12(24)27-6-2/h5-10H2,1-4H3,(H,18,23)