2-[[2-[4-(2-azanyl-4-chloranyl-6-methyl-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[2-[4-(2-azanyl-4-chloranyl-6-methyl-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[2-[4-(2-amino-4-chloro-6-methyl-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[2-[4-(2-amino-4-chloro-6-methyl-5-pyrimidinyl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[4-(2-amino-4-chloro-6-methyl-pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid Formula: C21H25ClN4O5 MolecularWeight: 448.9

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)Cl)CCCCC2=CC=CC=C2C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)N)Cl)CCCCC2=CC=CC=C2C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H25ClN4O5/c1-12-14(18(22)26-21(23)24-12)8-4-2-6-13-7-3-5-9-15(13)19(29)25-16(20(30)31)10-11-17(27)28/h3,5,7,9,16H,2,4,6,8,10-11H2,1H3,(H,25,29)(H,27,28)(H,30,31)(H2,23,24,26)