methyl 5-methyl-4-oxidanylidene-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H21N4O5S3+ MolecularWeight: 469.57814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C18H20N4O5S3/c1-11-14-16(23)19-12(20-17(14)29-15(11)18(24)27-2)10-21-5-7-22(8-6-21)30(25,26)13-4-3-9-28-13/h3-4,9H,5-8,10H2,1-2H3,(H,19,20,23)/p+1