2-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate; morpholin-4-ium

Systemtic Name: 2-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate; morpholin-4-ium Openeye Name: 2-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate; morpholin-4-ium CAS Name: 2-[(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetate; morpholin-4-ium IUPAC Name: 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate; morpholin-4-ium Traditional Name: 2-[(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate; morpholin-4-ium Formula: C14H21N5O5S MolecularWeight: 371.41204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C.C1COCC[NH2+]1

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C.C1COCC[NH2+]1

InChI

InChI=1S/C10H12N4O4S.C4H9NO/c1-3-14-6-7(11-10(14)19-4-5(15)16)13(2)9(18)12-8(6)17;1-3-6-4-2-5-1/h3-4H2,1-2H3,(H,15,16)(H,12,17,18);5H,1-4H2