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

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N5O2S2+ MolecularWeight: 396.55064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O2S2/c1-11-12(2)26-16-14(11)15(23)19-13(20-16)10-21-5-7-22(8-6-21)17(25)18-4-9-24-3/h4-10H2,1-3H3,(H,18,25)(H,19,20,23)/p+1