2-methoxyethyl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH2+]CC3)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH2+]CC3)C(=O)OCCOC

InChI

InChI=1S/C15H20N4O3S/c1-10-11-13(19-5-3-16-4-6-19)17-9-18-14(11)23-12(10)15(20)22-8-7-21-2/h9,16H,3-8H2,1-2H3/p+1