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

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl carbamimidothioate Openeye Name: 2-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethyl]isothiourea Formula: C9H11BrN6O2S MolecularWeight: 347.19164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrN6O2S/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)