5-carbonazidoyl-3-(2,2-dimethoxyethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one

Systemtic Name: 5-carbonazidoyl-3-(2,2-dimethoxyethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one Openeye Name: 1-(2,2-dimethoxyethyl)-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbonyl azide CAS Name: 5-carbonazidoyl-3-(2,2-dimethoxyethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinone IUPAC Name: 1-(2,2-dimethoxyethyl)-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carbonyl azide Traditional Name: 5-carbonazidoyl-3-(2,2-dimethoxyethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-one Formula: C16H14F3N5O4 MolecularWeight: 397.30867

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NC=C(C1=O)C(=O)N=[N+]=[N-])C2=CC=C(C=C2)C(F)(F)F)OC

Isomeric SMILES

COC(CN1C(=NC=C(C1=O)C(=O)N=[N+]=[N-])C2=CC=C(C=C2)C(F)(F)F)OC

InChI

InChI=1S/C16H14F3N5O4/c1-27-12(28-2)8-24-13(9-3-5-10(6-4-9)16(17,18)19)21-7-11(15(24)26)14(25)22-23-20/h3-7,12H,8H2,1-2H3