2-[4-[[(2R)-2-acetamido-3-methyl-butanoyl]amino]phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-[[(2R)-2-acetamido-3-methyl-butanoyl]amino]phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[[(2R)-2-acetamido-3-methyl-butanoyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[[(2R)-2-acetamido-3-methyl-1-oxobutyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-[[(2R)-2-acetamido-3-methylbutanoyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[[(2R)-2-acetamido-3-methyl-butanoyl]amino]phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C18H20N4O5/c1-9(2)14(20-10(3)23)17(25)21-12-6-4-11(5-7-12)15-19-8-13(18(26)27)16(24)22-15/h4-9,14H,1-3H3,(H,20,23)(H,21,25)(H,26,27)(H,19,22,24)/t14-/m1/s1