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

Systemtic Name: ethyl 3-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 3-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCC(=O)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCCC(=O)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H20N4O4S/c1-5-18-10-11(16(3)14(21)17(4)12(10)20)15-13(18)23-8-7-9(19)22-6-2/h5-8H2,1-4H3