5-(4-chloranylphenoxy)-N-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: 5-(4-chloranylphenoxy)-N-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: 5-(4-chlorophenoxy)-N-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine CAS Name: 5-(4-chlorophenoxy)-N-(4-fluorophenyl)-4-(4-methyl-1-piperazinyl)-2-pyrimidinamine IUPAC Name: 5-(4-chlorophenoxy)-N-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [5-(4-chlorophenoxy)-4-(4-methylpiperazino)pyrimidin-2-yl]-(4-fluorophenyl)amine Formula: C21H21ClFN5O MolecularWeight: 413.875743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)F

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21ClFN5O/c1-27-10-12-28(13-11-27)20-19(29-18-8-2-15(22)3-9-18)14-24-21(26-20)25-17-6-4-16(23)5-7-17/h2-9,14H,10-13H2,1H3,(H,24,25,26)