5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C23H29N6O2S+ MolecularWeight: 453.58036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2S/c1-16-14-25-23(27-20(16)19-4-2-13-32-19)29-21(17-5-6-17)18(15-26-29)22(30)24-7-3-8-28-9-11-31-12-10-28/h2,4,13-15,17H,3,5-12H2,1H3,(H,24,30)/p+1