2,5-dimethyl-4-oxidanylidene-N-[1-(piperidin-1-ium-1-ylmethyl)cyclohexyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2,5-dimethyl-4-oxidanylidene-N-[1-(piperidin-1-ium-1-ylmethyl)cyclohexyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-4-oxo-N-[1-(piperidin-1-ium-1-ylmethyl)cyclohexyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-4-oxo-N-[1-(1-piperidin-1-iumylmethyl)cyclohexyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2,5-dimethyl-4-oxo-N-[1-(piperidin-1-ium-1-ylmethyl)cyclohexyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-2,5-dimethyl-N-[1-(piperidin-1-ium-1-ylmethyl)cyclohexyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)NC3(CCCCC3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)NC3(CCCCC3)C[NH+]4CCCCC4

InChI

InChI=1S/C21H30N4O2S/c1-14-16-18(26)22-15(2)23-20(16)28-17(14)19(27)24-21(9-5-3-6-10-21)13-25-11-7-4-8-12-25/h3-13H2,1-2H3,(H,24,27)(H,22,23,26)/p+1