2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: 2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C23H28N7O3S+ MolecularWeight: 482.57852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O3S/c1-15(2)22-24-16(3)11-20(26-22)29-9-7-28(8-10-29)13-21(31)27-23-25-19(14-34-23)17-5-4-6-18(12-17)30(32)33/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,25,27,31)/p+1