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

Systemtic Name: 2-[4-(4-acetamidobutanoylamino)phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(4-acetamidobutanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[(4-acetamido-1-oxobutyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-(4-acetamidobutanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(4-acetamidobutanoylamino)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)NCCCC(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

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

InChI

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