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

Systemtic Name: 2-methoxyethyl 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C22H26N5O6S+ MolecularWeight: 488.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C22H25N5O6S/c1-14-18-20(28)23-17(24-21(18)34-19(14)22(29)33-12-11-32-2)13-25-7-9-26(10-8-25)15-3-5-16(6-4-15)27(30)31/h3-6H,7-13H2,1-2H3,(H,23,24,28)/p+1