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

Systemtic Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-pyrimidin-2-yl-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-pyrimidin-2-yl-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(2-pyrimidinyl)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-pyrimidin-2-ylpyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-tert-butylbenzyl)-6-hydroxy-4-keto-2-(2-pyrimidyl)pyrimidine-5-carbonyl]amino]acetic acid Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=NC=CC=N3)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=NC=CC=N3)C(=O)NCC(=O)O)O

InChI

InChI=1S/C22H23N5O5/c1-22(2,3)14-7-5-13(6-8-14)12-27-18(17-23-9-4-10-24-17)26-20(31)16(21(27)32)19(30)25-11-15(28)29/h4-10,32H,11-12H2,1-3H3,(H,25,30)(H,28,29)