1-(3-methylbutyl)-4-oxidanylidene-3-(pyrimidin-2-ylcarbamoyl)quinolin-2-olate

Systemtic Name: 1-(3-methylbutyl)-4-oxidanylidene-3-(pyrimidin-2-ylcarbamoyl)quinolin-2-olate Openeye Name: 1-isopentyl-4-oxo-3-(pyrimidin-2-ylcarbamoyl)quinolin-2-olate CAS Name: 1-(3-methylbutyl)-4-oxo-3-[oxo-(2-pyrimidinylamino)methyl]-2-quinolinolate IUPAC Name: 1-(3-methylbutyl)-4-oxo-3-(pyrimidin-2-ylcarbamoyl)quinolin-2-olate Traditional Name: 1-isoamyl-4-keto-3-(2-pyrimidylcarbamoyl)quinolin-2-olate Formula: C19H19N4O3- MolecularWeight: 351.37916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H20N4O3/c1-12(2)8-11-23-14-7-4-3-6-13(14)16(24)15(18(23)26)17(25)22-19-20-9-5-10-21-19/h3-7,9-10,12,26H,8,11H2,1-2H3,(H,20,21,22,25)/p-1