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

Systemtic Name: cyclohexylazanium; 2-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: cyclohexylammonium; 2-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: cyclohexylammonium; 2-[(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: cyclohexylazanium; 2-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: cyclohexylammonium; 2-[(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate Formula: C16H25N5O4S MolecularWeight: 383.4658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C.C1CCC(CC1)[NH3+]

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C10H12N4O4S.C6H13N/c1-3-14-6-7(11-10(14)19-4-5(15)16)13(2)9(18)12-8(6)17;7-6-4-2-1-3-5-6/h3-4H2,1-2H3,(H,15,16)(H,12,17,18);6H,1-5,7H2