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

Systemtic Name: 2-methoxyethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C19H27N4O6S+ MolecularWeight: 439.50588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

InChI

InChI=1S/C19H26N4O6S/c1-4-28-19(26)23-7-5-22(6-8-23)11-13-20-16(24)14-12(2)15(30-17(14)21-13)18(25)29-10-9-27-3/h4-11H2,1-3H3,(H,20,21,24)/p+1