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

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: N-isopropyl-4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C17H26N5OS2+ MolecularWeight: 380.55124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5OS2/c1-10(2)18-17(24)22-7-5-21(6-8-22)9-13-19-15(23)14-11(3)12(4)25-16(14)20-13/h10H,5-9H2,1-4H3,(H,18,24)(H,19,20,23)/p+1