N4-(4-tert-butylphenyl)-N6-[(3-fluorophenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-tert-butylphenyl)-N6-[(3-fluorophenyl)methyl]pyrimidine-4,6-diamine Openeye Name: N4-(4-tert-butylphenyl)-N6-[(3-fluorophenyl)methyl]pyrimidine-4,6-diamine CAS Name: N4-(4-tert-butylphenyl)-N6-[(3-fluorophenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-tert-butylphenyl)-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-diamine Traditional Name: [6-(4-tert-butylanilino)pyrimidin-4-yl]-(3-fluorobenzyl)amine Formula: C21H23FN4 MolecularWeight: 350.432523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=CC(=NC=N2)NCC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=CC(=NC=N2)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4/c1-21(2,3)16-7-9-18(10-8-16)26-20-12-19(24-14-25-20)23-13-15-5-4-6-17(22)11-15/h4-12,14H,13H2,1-3H3,(H2,23,24,25,26)