methyl N'-[N'-(2-dimethylaminoethyl)carbamimidoyl]-N-(1H-imidazol-5-yl)carbamimidothioate

Systemtic Name: methyl N'-[N'-(2-dimethylaminoethyl)carbamimidoyl]-N-(1H-imidazol-5-yl)carbamimidothioate Openeye Name: 3-[N'-(2-dimethylaminoethyl)carbamimidoyl]-1-(1H-imidazol-5-yl)-2-methyl-isothiourea CAS Name: N'-[amino(2-dimethylaminoethylimino)methyl]-N-(1H-imidazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[N'-(2-dimethylaminoethyl)carbamimidoyl]-N-(1H-imidazol-5-yl)carbamimidothioate Traditional Name: 3-[N'-(2-dimethylaminoethyl)amidino]-1-(1H-imidazol-5-yl)-2-methyl-isothiourea Formula: C10H19N7S MolecularWeight: 269.36976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN=C(N)N=C(NC1=CN=CN1)SC

Isomeric SMILES

CN(C)CCN=C(N)/N=C(/NC1=CN=CN1)\SC

InChI

InChI=1S/C10H19N7S/c1-17(2)5-4-13-9(11)16-10(18-3)15-8-6-12-7-14-8/h6-7H,4-5H2,1-3H3,(H,12,14)(H3,11,13,15,16)