N4-(4H-1,4-benzoxazin-6-yl)-N2-(3-tert-butylphenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(4H-1,4-benzoxazin-6-yl)-N2-(3-tert-butylphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(4H-1,4-benzoxazin-6-yl)-N2-(3-tert-butylphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(4H-1,4-benzoxazin-6-yl)-N2-(3-tert-butylphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(4H-1,4-benzoxazin-6-yl)-2-N-(3-tert-butylphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: 4H-1,4-benzoxazin-6-yl-[2-(3-tert-butylanilino)-5-fluoro-pyrimidin-4-yl]amine Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC=CN4)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC=CN4)F

InChI

InChI=1S/C22H22FN5O/c1-22(2,3)14-5-4-6-15(11-14)27-21-25-13-17(23)20(28-21)26-16-7-8-19-18(12-16)24-9-10-29-19/h4-13,24H,1-3H3,(H2,25,26,27,28)