2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl carbamimidothioate hydrobromide

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl carbamimidothioate hydrobromide Openeye Name: 2-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethyl ester hydrobromide IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl carbamimidothioate hydrobromide Traditional Name: 2-[2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethyl]isothiourea hydrobromide Formula: C9H12Br2N6O2S MolecularWeight: 428.10358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC(=N)N.Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC(=N)N.Br

InChI

InChI=1S/C9H11BrN6O2S.BrH/c1-15-5-4(6(17)14-9(15)18)16(7(10)13-5)2-3-19-8(11)12;/h2-3H2,1H3,(H3,11,12)(H,14,17,18);1H