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

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic 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'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea Formula: C17H20N4OS3 MolecularWeight: 392.5619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS3/c1-10(2)5-6-19-17(18)25-9-13-20-15(22)14-11(8-24-16(14)21-13)12-4-3-7-23-12/h3-4,7-8,10H,5-6,9H2,1-2H3,(H2,18,19)(H,20,21,22)