5-[(Z)-3-(4-chlorophenyl)-1-fluoranyl-3-methyl-but-1-enyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[(Z)-3-(4-chlorophenyl)-1-fluoranyl-3-methyl-but-1-enyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[(Z)-3-(4-chlorophenyl)-1-fluoro-3-methyl-but-1-enyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[(Z)-3-(4-chlorophenyl)-1-fluoro-3-methylbut-1-enyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[(Z)-3-(4-chlorophenyl)-1-fluoro-3-methylbut-1-enyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(Z)-3-(4-chlorophenyl)-1-fluoro-3-methyl-but-1-enyl]-6-methyl-pyrimidin-4-yl]amine Formula: C16H18ClFN4 MolecularWeight: 320.792323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C(=CC(C)(C)C2=CC=C(C=C2)Cl)F

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)/C(=C/C(C)(C)C2=CC=C(C=C2)Cl)/F

InChI

InChI=1S/C16H18ClFN4/c1-9-13(14(19)22-15(20)21-9)12(18)8-16(2,3)10-4-6-11(17)7-5-10/h4-8H,1-3H3,(H4,19,20,21,22)/b12-8-