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

Systemtic Name: ethyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NCC(=O)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NCC(=O)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H23N5O5S/c1-5-7-21-12-13(19(3)16(25)20(4)14(12)24)18-15(21)27-9-10(22)17-8-11(23)26-6-2/h5-9H2,1-4H3,(H,17,22)