carboxymethylsulfanyl-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-methoxy-propyl]mercury

Systemtic Name: carboxymethylsulfanyl-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-methoxy-propyl]mercury Openeye Name: carboxymethylsulfanyl-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-methoxy-propyl]mercury CAS Name: (carboxymethylthio)-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-methoxypropyl]mercury IUPAC Name: carboxymethylsulfanyl-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methoxypropyl]mercury Traditional Name: (carboxymethylthio)-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-methoxy-propyl]mercury Formula: C13H18HgN4O5S MolecularWeight: 542.96082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C[Hg]SCC(=O)O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C[Hg]SCC(=O)O)OC

InChI

InChI=1S/C11H15N4O3.C2H4O2S.Hg/c1-7(18-4)5-15-6-12-9-8(15)10(16)14(3)11(17)13(9)2;3-2(4)1-5;/h6-7H,1,5H2,2-4H3;5H,1H2,(H,3,4);/q;;+1/p-1