4-(2-carboxyethylamino)-3-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-carboxyethylamino)-3-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-carboxyethylamino)-3-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4-(2-carboxyethylamino)-3-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(2-carboxyethylamino)-3-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-(2-carboxyethylamino)-3-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-4-keto-butyric acid Formula: C14H15ClN6O5 MolecularWeight: 382.7591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=NC(=CC(=N2)Cl)NC(CC(=O)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CN(C=N1)C2=NC(=CC(=N2)Cl)NC(CC(=O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C14H15ClN6O5/c15-9-6-10(20-14(19-9)21-4-3-16-7-21)18-8(5-12(24)25)13(26)17-2-1-11(22)23/h3-4,6-8H,1-2,5H2,(H,17,26)(H,22,23)(H,24,25)(H,18,19,20)