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

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

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

Isomeric SMILES

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

InChI

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