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

Systemtic Name: 2-[4-(2,6-diacetamidohexanoylamino)phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(2,6-diacetamidohexanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[(2,6-diacetamido-1-oxohexyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-(2,6-diacetamidohexanoylamino)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(2,6-diacetamidohexanoylamino)phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-12(27)22-10-4-3-5-17(24-13(2)28)20(30)25-15-8-6-14(7-9-15)18-23-11-16(21(31)32)19(29)26-18/h6-9,11,17H,3-5,10H2,1-2H3,(H,22,27)(H,24,28)(H,25,30)(H,31,32)(H,23,26,29)