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

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea CAS Name: N'-butylcarbamimidothioic 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'-butylcarbamimidothioate Traditional Name: 3-butyl-2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea Formula: C16H18N4OS3 MolecularWeight: 378.53532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS3/c1-2-3-6-18-16(17)24-9-12-19-14(21)13-10(8-23-15(13)20-12)11-5-4-7-22-11/h4-5,7-8H,2-3,6,9H2,1H3,(H2,17,18)(H,19,20,21)