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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N'-phenylcarbamimidothioate hydroiodide Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]-3-phenyl-isothiourea hydroiodide CAS Name: N'-phenylcarbamimidothioic 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 N'-phenylcarbamimidothioate hydroiodide Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]-3-phenyl-isothiourea hydroiodide Formula: C16H19IN6O2S MolecularWeight: 486.33053

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=NC3=CC=CC=C3)N.I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=NC3=CC=CC=C3)N.I

InChI

InChI=1S/C16H18N6O2S.HI/c1-20-13-12(14(23)21(2)16(20)24)22(10-18-13)8-9-25-15(17)19-11-6-4-3-5-7-11;/h3-7,10H,8-9H2,1-2H3,(H2,17,19);1H