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

Systemtic Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C22H27N6O2S+ MolecularWeight: 439.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC[NH+]4CCOCC4)C5CC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC[NH+]4CCOCC4)C5CC5

InChI

InChI=1S/C22H26N6O2S/c1-15-13-24-22(26-19(15)18-3-2-12-31-18)28-20(16-4-5-16)17(14-25-28)21(29)23-6-7-27-8-10-30-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,23,29)/p+1