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

Systemtic Name: 5-methyl-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-8-10-12(18)15-9(7-17-5-3-2-4-6-17)16-13(10)21-11(8)14(19)20/h2-7H2,1H3,(H,19,20)(H,15,16,18)