4-methoxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-methoxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-methoxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-methoxy-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-methoxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-methoxy-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC)C[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC)C[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-9-11-13(21-2)16-10(8-18-6-4-3-5-7-18)17-14(11)22-12(9)15(19)20/h3-8H2,1-2H3,(H,19,20)