tert-butyl N-[3-[[5-azanyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[5-azanyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[[5-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamate CAS Name: N-[3-[[5-amino-6-(trifluoromethyl)-4-pyrimidinyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[5-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamate Traditional Name: N-[3-[[5-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamic acid tert-butyl ester Formula: C13H20F3N5O2 MolecularWeight: 335.32541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC1=NC=NC(=C1N)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=NC=NC(=C1N)C(F)(F)F

InChI

InChI=1S/C13H20F3N5O2/c1-12(2,3)23-11(22)19-6-4-5-18-10-8(17)9(13(14,15)16)20-7-21-10/h7H,4-6,17H2,1-3H3,(H,19,22)(H,18,20,21)