2-[[1-[(4-bromophenyl)methyl]-2-cyclohexyl-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]-2-cyclohexyl-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(4-bromophenyl)methyl]-2-cyclohexyl-6-hydroxy-4-oxo-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(4-bromophenyl)methyl]-2-cyclohexyl-6-hydroxy-4-oxo-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(4-bromophenyl)methyl]-2-cyclohexyl-6-hydroxy-4-oxopyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-bromobenzyl)-2-cyclohexyl-6-hydroxy-4-keto-pyrimidine-5-carbonyl]amino]acetic acid Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=O)C(=C(N2CC3=CC=C(C=C3)Br)O)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=O)C(=C(N2CC3=CC=C(C=C3)Br)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H22BrN3O5/c21-14-8-6-12(7-9-14)11-24-17(13-4-2-1-3-5-13)23-19(28)16(20(24)29)18(27)22-10-15(25)26/h6-9,13,29H,1-5,10-11H2,(H,22,27)(H,25,26)