(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester hydrochloride IUPAC Name: (4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea hydrochloride Formula: C12H11ClN4OS3 MolecularWeight: 358.88994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CSC(=N)N.Cl

Isomeric SMILES

C1=CSC(=C1)C2=CSC3=C2C(=O)NC(=N3)CSC(=N)N.Cl

InChI

InChI=1S/C12H10N4OS3.ClH/c13-12(14)20-5-8-15-10(17)9-6(4-19-11(9)16-8)7-2-1-3-18-7;/h1-4H,5H2,(H3,13,14)(H,15,16,17);1H