5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide CAS Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[[1-(4-morpholin-4-iumyl)cyclopentyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide Formula: C25H33N6O3S+ MolecularWeight: 497.63292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC4(CCCC4)[NH+]5CCOCC5)COC

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC4(CCCC4)[NH+]5CCOCC5)COC

InChI

InChI=1S/C25H32N6O3S/c1-18-14-26-24(29-22(18)21-6-5-13-35-21)31-20(16-33-2)19(15-28-31)23(32)27-17-25(7-3-4-8-25)30-9-11-34-12-10-30/h5-6,13-15H,3-4,7-12,16-17H2,1-2H3,(H,27,32)/p+1