N-[4-[5-carbonazidoyl-1-(2,2-dimethoxyethyl)-6-oxidanylidene-pyrimidin-2-yl]phenyl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[4-[5-carbonazidoyl-1-(2,2-dimethoxyethyl)-6-oxidanylidene-pyrimidin-2-yl]phenyl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: 1-(2,2-dimethoxyethyl)-6-oxo-2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrimidine-5-carbonyl azide CAS Name: N-[4-[5-carbonazidoyl-1-(2,2-dimethoxyethyl)-6-oxo-2-pyrimidinyl]phenyl]-2,2,2-trifluoroacetamide IUPAC Name: 1-(2,2-dimethoxyethyl)-6-oxo-2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrimidine-5-carbonyl azide Traditional Name: N-[4-[5-carbonazidoyl-1-(2,2-dimethoxyethyl)-6-keto-pyrimidin-2-yl]phenyl]-2,2,2-trifluoro-acetamide Formula: C17H15F3N6O5 MolecularWeight: 440.33341

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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)NC(=O)C(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N6O5/c1-30-12(31-2)8-26-13(22-7-11(15(26)28)14(27)24-25-21)9-3-5-10(6-4-9)23-16(29)17(18,19)20/h3-7,12H,8H2,1-2H3,(H,23,29)