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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl carbamimidothioate hydroiodide Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]isothiourea hydroiodide CAS Name: carbamimidothioic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester hydroiodide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl carbamimidothioate hydroiodide Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]isothiourea hydroiodide Formula: C10H15IN6O2S MolecularWeight: 410.23457

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=N)N.I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=N)N.I

InChI

InChI=1S/C10H14N6O2S.HI/c1-14-7-6(8(17)15(2)10(14)18)16(5-13-7)3-4-19-9(11)12;/h5H,3-4H2,1-2H3,(H3,11,12);1H