3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-(1-thiophen-2-ylethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-(1-thiophen-2-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-thienyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-cyclohexyl-4-(1-thiophen-2-ylethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-cyclohexyl-4-(1-thiophen-2-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-thienyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C26H34ClN8O2S+ MolecularWeight: 558.11856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(C1=CC=CS1)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H33ClN8O2S/c1-18(21-8-5-13-38-21)35(24-15-22(27)31-25(32-24)34-10-9-29-17-34)12-11-33(16-20(35)14-23(28)36)26(37)30-19-6-3-2-4-7-19/h5,8-10,13,15,17-20H,2-4,6-7,11-12,14,16H2,1H3,(H2-,28,30,36,37)/p+1