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

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

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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)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O)NC(=O)C

InChI

InChI=1S/C16H16N4O5/c1-8(18-9(2)21)14(22)19-11-5-3-10(4-6-11)13-17-7-12(16(24)25)15(23)20-13/h3-8H,1-2H3,(H,18,21)(H,19,22)(H,24,25)(H,17,20,23)/t8-/m1/s1