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

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-carbonazidoyl-3-(2,2-dimethoxyethyl)pyrimidin-4-one Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-(2,2-dimethoxyethyl)-6-oxo-pyrimidine-5-carbonyl azide CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-carbonazidoyl-3-(2,2-dimethoxyethyl)-4-pyrimidinone IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-carbonazidoyl-3-(2,2-dimethoxyethyl)pyrimidin-4-one Formula: C17H13F6N5O4 MolecularWeight: 465.306639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F6N5O4/c1-31-12(32-2)7-28-13(25-6-11(15(28)30)14(29)26-27-24)8-3-9(16(18,19)20)5-10(4-8)17(21,22)23/h3-6,12H,7H2,1-2H3