2-[[2-azanyl-5-(4-chloranyl-2-fluoranyl-phenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one

Systemtic Name: 2-[[2-azanyl-5-(4-chloranyl-2-fluoranyl-phenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one Openeye Name: 2-[[2-amino-5-(4-chloro-2-fluoro-phenoxy)pyrimidin-4-yl]amino]cyclohexanone CAS Name: 2-[[2-amino-5-(4-chloro-2-fluorophenoxy)-4-pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 2-[[2-amino-5-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one Traditional Name: 2-[[2-amino-5-(4-chloro-2-fluoro-phenoxy)pyrimidin-4-yl]amino]cyclohexanone Formula: C16H16ClFN4O2 MolecularWeight: 350.775243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)NC2=NC(=NC=C2OC3=C(C=C(C=C3)Cl)F)N

Isomeric SMILES

C1CCC(=O)C(C1)NC2=NC(=NC=C2OC3=C(C=C(C=C3)Cl)F)N

InChI

InChI=1S/C16H16ClFN4O2/c17-9-5-6-13(10(18)7-9)24-14-8-20-16(19)22-15(14)21-11-3-1-2-4-12(11)23/h5-8,11H,1-4H2,(H3,19,20,21,22)