2-[[2-[2,6-bis(bromanyl)phenyl]-1-cyclohexyl-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[2,6-bis(bromanyl)phenyl]-1-cyclohexyl-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2,6-dibromophenyl)-6-hydroxy-4-oxo-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyclohexyl-2-(2,6-dibromophenyl)-6-hydroxy-4-oxo-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyclohexyl-2-(2,6-dibromophenyl)-6-hydroxy-4-oxopyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-cyclohexyl-2-(2,6-dibromophenyl)-6-hydroxy-4-keto-pyrimidine-5-carbonyl]amino]acetic acid Formula: C19H19Br2N3O5 MolecularWeight: 529.17926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=O)N=C2C3=C(C=CC=C3Br)Br)C(=O)NCC(=O)O)O

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=O)N=C2C3=C(C=CC=C3Br)Br)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H19Br2N3O5/c20-11-7-4-8-12(21)14(11)16-23-18(28)15(17(27)22-9-13(25)26)19(29)24(16)10-5-2-1-3-6-10/h4,7-8,10,29H,1-3,5-6,9H2,(H,22,27)(H,25,26)