3-[[4-[bis(4-chlorophenyl)methylamino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol

Systemtic Name: 3-[[4-[bis(4-chlorophenyl)methylamino]-5-fluoranyl-pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-[bis(4-chlorophenyl)methylamino]-5-fluoro-pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-[bis(4-chlorophenyl)methylamino]-5-fluoro-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-[bis(4-chlorophenyl)methylamino]-5-fluoropyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-[bis(4-chlorophenyl)methylamino]-5-fluoro-pyrimidin-2-yl]amino]phenol Formula: C23H17Cl2FN4O MolecularWeight: 455.311683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)NC2=NC=C(C(=N2)NC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)O)NC2=NC=C(C(=N2)NC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C23H17Cl2FN4O/c24-16-8-4-14(5-9-16)21(15-6-10-17(25)11-7-15)29-22-20(26)13-27-23(30-22)28-18-2-1-3-19(31)12-18/h1-13,21,31H,(H2,27,28,29,30)