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

Systemtic Name: 5-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N(C)C3CC[NH+](CC3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N(C)C3CC[NH+](CC3)C)C(=O)[O-]

InChI

InChI=1S/C15H20N4O2S/c1-9-11-13(19(3)10-4-6-18(2)7-5-10)16-8-17-14(11)22-12(9)15(20)21/h8,10H,4-7H2,1-3H3,(H,20,21)