1-[3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]ethanone Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H17N5O/c1-14(27)15-6-4-7-17(11-15)25-21-22-10-9-20(26-21)24-18-12-16-5-2-3-8-19(16)23-13-18/h2-13H,1H3,(H2,22,24,25,26)