4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C18H26N5OS2+ MolecularWeight: 392.56194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=S)NCC(=C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=S)NCC(=C)C)C

InChI

InChI=1S/C18H25N5OS2/c1-11(2)9-19-18(25)23-7-5-22(6-8-23)10-14-20-16(24)15-12(3)13(4)26-17(15)21-14/h1,5-10H2,2-4H3,(H,19,25)(H,20,21,24)/p+1