(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-methylcarbamimidothioate

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-methylcarbamimidothioate Openeye Name: 3-methyl-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea CAS Name: N'-methylcarbamimidothioic acid (4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methyl-isothiourea Formula: C13H12N4OS3 MolecularWeight: 336.45558

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

Isomeric SMILES

CN=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

InChI

InChI=1S/C13H12N4OS3/c1-15-13(14)21-6-9-16-11(18)10-7(5-20-12(10)17-9)8-3-2-4-19-8/h2-5H,6H2,1H3,(H2,14,15)(H,16,17,18)