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

Systemtic Name: 2-[4-(2-azanylpropanoylamino)phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(2-aminopropanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[(2-amino-1-oxopropyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-(2-aminopropanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(alanylamino)phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4/c1-7(15)12(19)17-9-4-2-8(3-5-9)11-16-6-10(14(21)22)13(20)18-11/h2-7H,15H2,1H3,(H,17,19)(H,21,22)(H,16,18,20)