3-[[2-[(3-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[2-[(3-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[2-(3-tert-butylanilino)-5-fluoro-pyrimidin-4-yl]amino]phenol CAS Name: 3-[[2-(3-tert-butylanilino)-5-fluoro-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[2-(3-tert-butylanilino)-5-fluoropyrimidin-4-yl]amino]phenol Traditional Name: 3-[[2-(3-tert-butylanilino)-5-fluoro-pyrimidin-4-yl]amino]phenol Formula: C20H21FN4O MolecularWeight: 352.405343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F

InChI

InChI=1S/C20H21FN4O/c1-20(2,3)13-6-4-7-14(10-13)24-19-22-12-17(21)18(25-19)23-15-8-5-9-16(26)11-15/h4-12,26H,1-3H3,(H2,22,23,24,25)