2-[[4-[1-(2-azanyl-4-methyl-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[1-(2-azanyl-4-methyl-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-(2-amino-4-methyl-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-(2-amino-4-methyl-5-pyrimidinyl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(2-amino-4-methylpyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-(2-amino-4-methyl-pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CN=C(N=C2C)N

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CN=C(N=C2C)N

InChI

InChI=1S/C21H26N4O5/c1-3-4-15(16-11-23-21(22)24-12(16)2)13-5-7-14(8-6-13)19(28)25-17(20(29)30)9-10-18(26)27/h5-8,11,15,17H,3-4,9-10H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H2,22,23,24)