2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]-N-phenyl-1,3-thiazol-3-ium-5-carboxamide

Systemtic Name: 2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]-N-phenyl-1,3-thiazol-3-ium-5-carboxamide Openeye Name: 2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]-N-phenyl-thiazol-3-ium-5-carboxamide CAS Name: 2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-phenyl-5-thiazol-3-iumcarboxamide IUPAC Name: 2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-phenyl-1,3-thiazol-3-ium-5-carboxamide Traditional Name: 2-[[6-[4-(2-hydroxyethyl)piperazino]-2-methyl-pyrimidin-4-yl]amino]-N-phenyl-thiazol-3-ium-5-carboxamide Formula: C21H26N7O2S+ MolecularWeight: 440.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=[NH+]C=C(S2)C(=O)NC3=CC=CC=C3)N4CCN(CC4)CCO

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=[NH+]C=C(S2)C(=O)NC3=CC=CC=C3)N4CCN(CC4)CCO

InChI

InChI=1S/C21H25N7O2S/c1-15-23-18(13-19(24-15)28-9-7-27(8-10-28)11-12-29)26-21-22-14-17(31-21)20(30)25-16-5-3-2-4-6-16/h2-6,13-14,29H,7-12H2,1H3,(H,25,30)(H,22,23,24,26)/p+1