4-[[2-[4-(6-chloranylpyrimidin-4-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-(6-chloranylpyrimidin-4-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(6-chloro-4-pyrimidinyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(6-chloropyrimidin-4-yl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C23H32ClN5O3 MolecularWeight: 461.98488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=CC(=NC=N5)Cl

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)N4CCN(CC4)C5=CC(=NC=N5)Cl

InChI

InChI=1S/C23H32ClN5O3/c1-22(2,29-5-3-28(4-6-29)18-9-17(24)25-13-26-18)20(30)27-19-15-7-14-8-16(19)12-23(10-14,11-15)21(31)32/h9,13-16,19H,3-8,10-12H2,1-2H3,(H,27,30)(H,31,32)