2-[[2-(5-bromanylpyridin-3-yl)-6-propyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(5-bromanylpyridin-3-yl)-6-propyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(5-bromo-3-pyridyl)-6-propyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(5-bromo-3-pyridinyl)-6-propyl-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(5-bromopyridin-3-yl)-6-propylpyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(5-bromo-3-pyridyl)-6-propyl-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C18H23BrN4O2 MolecularWeight: 407.30482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)C2=CC(=CN=C2)Br)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCC1=CC(=NC(=N1)C2=CC(=CN=C2)Br)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C18H23BrN4O2/c1-4-5-14-8-16(22-15(18(24)25)6-11(2)3)23-17(21-14)12-7-13(19)10-20-9-12/h7-11,15H,4-6H2,1-3H3,(H,24,25)(H,21,22,23)