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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(SC3=C2C(=O)NC=N3)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(SC3=C2C(=O)NC=N3)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-8-2-4-17(5-3-8)6-9-10-12(18)15-7-16-13(10)21-11(9)14(19)20/h7-8H,2-6H2,1H3,(H,19,20)(H,15,16,18)