6-azanyl-1-tert-butyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-tert-butyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-tert-butyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-amino-1-tert-butyl-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-tert-butyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-1-tert-butyl-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC=CC=N4)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC=CC=N4)N)C(=O)O

InChI

InChI=1S/C22H26N6O3/c1-22(2,3)28-13-15(20(30)31)19(29)14-11-16(23)18(12-17(14)28)26-7-9-27(10-8-26)21-24-5-4-6-25-21/h4-6,11-13H,7-10,23H2,1-3H3,(H,30,31)