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

Systemtic Name: ethyl (2S)-2-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: (2S)-2-[(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1S[C@@H](C)C(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O4S/c1-5-17-8-9(16(4)12(20)15-10(8)18)14-13(17)22-7(3)11(19)21-6-2/h7H,5-6H2,1-4H3,(H,15,18,20)/t7-/m0/s1