(2E)-BUT-2-ENEDIOIC ACID, 5-([4-((6-CHLOROTHIENO[2,3-D]PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL]METHYL)-2-FLUOROBENZONITRILE

CAS No.
866206-54-4
CCD No.
CCD04334218
Formula
C19 H17 Cl F N5 S . C4 H4 O4
MolWeight
517.967

Basic Information

Product Name: (2E)-BUT-2-ENEDIOIC ACID, 5-([4-((6-CHLOROTHIENO[2,3-D]PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL]METHYL)-2-FLUOROBENZONITRILE
CAS: 866206-54-4
English Synonyms: (2E)-BUT-2-ENEDIOIC ACID, 5-([4-((6-CHLOROTHIENO[2,3-D]PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL]METHYL)-2-FLUOROBENZONITRILE
MDL Number.: MFCD18633287
H bond acceptor: 5
H bond donor: 1
Smile: c1cc(c(cc1CN2CCC(CC2)Nc3c4cc(sc4ncn3)Cl)C#N)F.C(=C/C(=O)O)\C(=O)O
InChi: InChI=1S/C19H17ClFN5S.C4H4O4/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22;5-3(6)1-2-4(7)8/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChiKey: InChIKey=RPYIKXHIQXRXEM-WLHGVMLRSA-N

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