tert-butyl N-[4-[[5-azanyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[[5-azanyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]butyl]carbamate Openeye Name: tert-butyl N-[4-[[5-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]butyl]carbamate CAS Name: N-[4-[[5-amino-2-(trifluoromethyl)-4-pyrimidinyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[5-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]butyl]carbamate Traditional Name: N-[4-[[5-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]butyl]carbamic acid tert-butyl ester Formula: C14H22F3N5O2 MolecularWeight: 349.35199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC1=NC(=NC=C1N)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC1=NC(=NC=C1N)C(F)(F)F

InChI

InChI=1S/C14H22F3N5O2/c1-13(2,3)24-12(23)20-7-5-4-6-19-10-9(18)8-21-11(22-10)14(15,16)17/h8H,4-7,18H2,1-3H3,(H,20,23)(H,19,21,22)