2-[4-[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C16H18ClFN6O3 MolecularWeight: 396.803923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClFN6O3/c17-12-9-11(1-2-13(12)18)21-15-14(24(26)27)16(20-10-19-15)23-5-3-22(4-6-23)7-8-25/h1-2,9-10,25H,3-8H2,(H,19,20,21)