methyl N-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N'-propyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N'-propyl-carbamimidothioate hydroiodide Openeye Name: 1-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)-2-methyl-3-propyl-isothiourea hydroiodide CAS Name: N-(1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-N'-propylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-propylcarbamimidothioate hydroiodide Traditional Name: 1-(2,4-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-methyl-3-propyl-isothiourea hydroiodide Formula: C11H19IN4O2S MolecularWeight: 398.26363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC1=CN(C(=O)N(C1=O)C)C)SC.I

Isomeric SMILES

CCCN=C(NC1=CN(C(=O)N(C1=O)C)C)SC.I

InChI

InChI=1S/C11H18N4O2S.HI/c1-5-6-12-10(18-4)13-8-7-14(2)11(17)15(3)9(8)16;/h7H,5-6H2,1-4H3,(H,12,13);1H