2-[4-[(2-azanyl-2-methyl-propanoyl)-ethanoyl-amino]phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-[(2-azanyl-2-methyl-propanoyl)-ethanoyl-amino]phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[acetyl-(2-amino-2-methyl-propanoyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[acetyl-(2-amino-2-methyl-1-oxopropyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-[acetyl-(2-amino-2-methylpropanoyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[acetyl-(2-amino-2-methyl-propanoyl)amino]phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O)C(=O)C(C)(C)N

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O)C(=O)C(C)(C)N

InChI

InChI=1S/C17H18N4O5/c1-9(22)21(16(26)17(2,3)18)11-6-4-10(5-7-11)13-19-8-12(15(24)25)14(23)20-13/h4-8H,18H2,1-3H3,(H,24,25)(H,19,20,23)