2-[4-(3-acetamidopropanoylamino)phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-acetamidopropanoylamino)phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-acetamidopropanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[(3-acetamido-1-oxopropyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-(3-acetamidopropanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-acetamidopropanoylamino)phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CC(=O)NCCC(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C16H16N4O5/c1-9(21)17-7-6-13(22)19-11-4-2-10(3-5-11)14-18-8-12(16(24)25)15(23)20-14/h2-5,8H,6-7H2,1H3,(H,17,21)(H,19,22)(H,24,25)(H,18,20,23)