4-[bis(fluoranyl)methyl]-5-butyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine

Systemtic Name: 4-[bis(fluoranyl)methyl]-5-butyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine Openeye Name: 5-butyl-4-(difluoromethyl)-6-(4-methylsulfonylphenyl)pyrimidin-2-amine CAS Name: 5-butyl-4-(difluoromethyl)-6-(4-methylsulfonylphenyl)-2-pyrimidinamine IUPAC Name: 5-butyl-4-(difluoromethyl)-6-(4-methylsulfonylphenyl)pyrimidin-2-amine Traditional Name: [5-butyl-4-(difluoromethyl)-6-(4-mesylphenyl)pyrimidin-2-yl]amine Formula: C16H19F2N3O2S MolecularWeight: 355.402766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1C(F)F)N)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1C(F)F)N)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19F2N3O2S/c1-3-4-5-12-13(20-16(19)21-14(12)15(17)18)10-6-8-11(9-7-10)24(2,22)23/h6-9,15H,3-5H2,1-2H3,(H2,19,20,21)