N,N-diethyl-4-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-sulfonamide Formula: C23H32N5O3S2+ MolecularWeight: 490.66188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C23H31N5O3S2/c1-5-27(6-2)33(30,31)28-13-11-26(12-14-28)15-19-24-22(29)21-20(17(4)32-23(21)25-19)18-9-7-16(3)8-10-18/h7-10H,5-6,11-15H2,1-4H3,(H,24,25,29)/p+1