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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(2-methyl-6-piperazin-4-ium-1-yl-pyrimidin-4-yl)amino]-1,3-thiazol-3-ium-5-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[(2-methyl-6-piperazin-4-ium-1-yl-pyrimidin-4-yl)amino]thiazol-3-ium-5-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(1-piperazin-4-iumyl)-4-pyrimidinyl]amino]-5-thiazol-3-iumcarboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-piperazin-4-ium-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-3-ium-5-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[(2-methyl-6-piperazin-4-ium-1-yl-pyrimidin-4-yl)amino]thiazol-3-ium-5-carboxamide Formula: C20H24ClN7OS+2 MolecularWeight: 445.96886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=C[NH+]=C(S2)NC3=NC(=NC(=C3)N4CC[NH2+]CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=C[NH+]=C(S2)NC3=NC(=NC(=C3)N4CC[NH2+]CC4)C

InChI

InChI=1S/C20H22ClN7OS/c1-12-4-3-5-14(21)18(12)27-19(29)15-11-23-20(30-15)26-16-10-17(25-13(2)24-16)28-8-6-22-7-9-28/h3-5,10-11,22H,6-9H2,1-2H3,(H,27,29)(H,23,24,25,26)/p+2