2-[3-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]phenyl]imino-1-piperazin-1-yl-ethanone

Systemtic Name: 2-[3-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]phenyl]imino-1-piperazin-1-yl-ethanone Openeye Name: 2-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]imino-1-piperazin-1-yl-ethanone CAS Name: 2-[3-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]phenyl]imino-1-(1-piperazinyl)ethanone IUPAC Name: 2-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]imino-1-piperazin-1-ylethanone Traditional Name: 2-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]imino-1-piperazino-ethanone Formula: C22H22FN7O2 MolecularWeight: 435.454183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C=NC2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

Isomeric SMILES

C1CN(CCN1)C(=O)C=NC2=CC(=CC=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)F

InChI

InChI=1S/C22H22FN7O2/c23-19-13-26-22(29-21(19)27-17-5-2-6-18(31)12-17)28-16-4-1-3-15(11-16)25-14-20(32)30-9-7-24-8-10-30/h1-6,11-14,24,31H,7-10H2,(H2,26,27,28,29)