[8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-2-yl] 2,2,2-tris(fluoranyl)ethaneperoxoate

Systemtic Name: [8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-2-yl] 2,2,2-tris(fluoranyl)ethaneperoxoate Openeye Name: [8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-methyl-6-oxo-purin-2-yl] 2,2,2-trifluoroperoxyacetate CAS Name: 2,2,2-trifluoroethaneperoxoic acid [8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-methyl-6-oxo-2-purinyl] ester IUPAC Name: [8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurin-2-yl] 2,2,2-trifluoroethaneperoxoate Traditional Name: 2,2,2-trifluoroperacetic acid [8-(3-aminopiperidino)-7-but-2-ynyl-6-keto-1-methyl-purin-2-yl] ester Formula: C17H19F3N6O4 MolecularWeight: 428.36577

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)C)OOC(=O)C(F)(F)F

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N=C(N(C2=O)C)OOC(=O)C(F)(F)F

InChI

InChI=1S/C17H19F3N6O4/c1-3-4-8-26-11-12(22-15(26)25-7-5-6-10(21)9-25)23-16(24(2)13(11)27)30-29-14(28)17(18,19)20/h10H,5-9,21H2,1-2H3