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

Systemtic Name: N-butyl-4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-butyl-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-butyl-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-butyl-4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C18H28N5OS2+ MolecularWeight: 394.57782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCCCNC(=S)N1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C18H27N5OS2/c1-4-5-6-19-18(25)23-9-7-22(8-10-23)11-14-20-16(24)15-12(2)13(3)26-17(15)21-14/h4-11H2,1-3H3,(H,19,25)(H,20,21,24)/p+1