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

Systemtic Name: 2-[[2-(5-bromanylpyridin-3-yl)-6-butyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(5-bromo-3-pyridyl)-6-butyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(5-bromo-3-pyridinyl)-6-butyl-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(5-bromopyridin-3-yl)-6-butylpyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(5-bromo-3-pyridyl)-6-butyl-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C19H25BrN4O2 MolecularWeight: 421.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)C2=CC(=CN=C2)Br)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=NC(=N1)C2=CC(=CN=C2)Br)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C19H25BrN4O2/c1-4-5-6-15-9-17(23-16(19(25)26)7-12(2)3)24-18(22-15)13-8-14(20)11-21-10-13/h8-12,16H,4-7H2,1-3H3,(H,25,26)(H,22,23,24)