5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C22H29N6O2S+ MolecularWeight: 441.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC(C)(C)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC(C)(C)[NH+]4CCOCC4)C

InChI

InChI=1S/C22H28N6O2S/c1-15-12-23-21(26-19(15)18-6-5-11-31-18)28-16(2)17(13-25-28)20(29)24-14-22(3,4)27-7-9-30-10-8-27/h5-6,11-13H,7-10,14H2,1-4H3,(H,24,29)/p+1