5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 5-(2-furyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 5-(2-furanyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 5-(2-furyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C26H29N6O4+ MolecularWeight: 489.54626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CO5

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCCC[NH+]4CCOCC4)C5=CC=CO5

InChI

InChI=1S/C26H28N6O4/c1-34-22-7-3-2-6-19(22)21-9-11-28-26(30-21)32-24(23-8-4-15-36-23)20(18-29-32)25(33)27-10-5-12-31-13-16-35-17-14-31/h2-4,6-9,11,15,18H,5,10,12-14,16-17H2,1H3,(H,27,33)/p+1