[4-azanyl-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone; ethanoyl fluoride

Systemtic Name: [4-azanyl-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone; ethanoyl fluoride Openeye Name: acetyl fluoride; [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone CAS Name: acetyl fluoride; [4-amino-2-(4-piperidinylamino)-5-pyrimidinyl]-(2-methoxyphenyl)methanone IUPAC Name: acetyl fluoride; [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone Traditional Name: acetyl fluoride; [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone Formula: C23H30F3N5O5 MolecularWeight: 513.51001

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.COC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3CCNCC3

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.COC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3CCNCC3

InChI

InChI=1S/C17H21N5O2.3C2H3FO/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11;3*1-2(3)4/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22);3*1H3