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

Systemtic Name: N-cyclohexyl-4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C20H30N5OS2+ MolecularWeight: 420.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=S)NC4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=S)NC4CCCCC4)C

InChI

InChI=1S/C20H29N5OS2/c1-13-14(2)28-19-17(13)18(26)22-16(23-19)12-24-8-10-25(11-9-24)20(27)21-15-6-4-3-5-7-15/h15H,3-12H2,1-2H3,(H,21,27)(H,22,23,26)/p+1