N2-(3-tert-butylphenyl)-N4-(3,4-dimethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-tert-butylphenyl)-N4-(3,4-dimethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2-(3-tert-butylphenyl)-N4-(3,4-dimethoxyphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2-(3-tert-butylphenyl)-N4-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-tert-butylphenyl)-4-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(3-tert-butylanilino)-5-fluoro-pyrimidin-4-yl]-(3,4-dimethoxyphenyl)amine Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2/c1-22(2,3)14-7-6-8-15(11-14)26-21-24-13-17(23)20(27-21)25-16-9-10-18(28-4)19(12-16)29-5/h6-13H,1-5H3,(H2,24,25,26,27)