1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2-furanyl)-2-pyrimidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C21H27N6O3+ MolecularWeight: 411.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CO3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CO3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H26N6O3/c1-15(2)19-16(20(28)22-7-8-26-9-12-29-13-10-26)14-24-27(19)21-23-6-5-17(25-21)18-4-3-11-30-18/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,22,28)/p+1