4-[[4-[(3-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-chloranyl-6-methyl-phenol

Systemtic Name: 4-[[4-[(3-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-chloranyl-6-methyl-phenol Openeye Name: 4-[[4-(3-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-chloro-6-methyl-phenol CAS Name: 4-[[4-(3-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]-2-chloro-6-methylphenol IUPAC Name: 4-[[4-(3-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-2-chloro-6-methylphenol Traditional Name: 4-[[4-(3-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-chloro-6-methyl-phenol Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)Cl)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C(C)(C)C)F

Isomeric SMILES

CC1=CC(=CC(=C1O)Cl)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C(C)(C)C)F

InChI

InChI=1S/C21H22ClFN4O/c1-12-8-15(10-16(22)18(12)28)26-20-24-11-17(23)19(27-20)25-14-7-5-6-13(9-14)21(2,3)4/h5-11,28H,1-4H3,(H2,24,25,26,27)