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

Systemtic Name: N-cycloheptyl-5-methyl-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-cycloheptyl-5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-cycloheptyl-5-methyl-4-oxo-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-cycloheptyl-5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cycloheptyl-4-keto-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-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[NH+]3CCCCC3)C(=O)NC4CCCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C21H30N4O2S/c1-14-17-19(26)23-16(13-25-11-7-4-8-12-25)24-21(17)28-18(14)20(27)22-15-9-5-2-3-6-10-15/h15H,2-13H2,1H3,(H,22,27)(H,23,24,26)/p+1