((2R,5R)-3-ACETOXY-5-(5-(2-AMINO-3,5-DICYANO-6-(4-FLUOROPHENYLTHIO)PYRIDIN-4-YL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL)METHYL ACETATE

CAS No.
CCD No.
CCD03257599
Formula
C26 H21 F N6 O7 S
MolWeight
580.551

Basic Information

Product Name: ((2R,5R)-3-ACETOXY-5-(5-(2-AMINO-3,5-DICYANO-6-(4-FLUOROPHENYLTHIO)PYRIDIN-4-YL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL)METHYL ACETATE
English Synonyms: ((2R,5R)-3-ACETOXY-5-(5-(2-AMINO-3,5-DICYANO-6-(4-FLUOROPHENYLTHIO)PYRIDIN-4-YL)-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL)METHYL ACETATE
MDL Number.: MFCD16877597
H bond acceptor: 13
H bond donor: 2
Smile: CC(=O)OC[C@@H]1C(C[C@@H](O1)n2cc(c(=O)[nH]c2=O)c3c(c(nc(c3C#N)Sc4ccc(cc4)F)N)C#N)OC(=O)C
InChi: InChI=1S/C26H21FN6O7S/c1-12(34)38-11-20-19(39-13(2)35)7-21(40-20)33-10-18(24(36)32-26(33)37)22-16(8-28)23(30)31-25(17(22)9-29)41-15-5-3-14(27)4-6-15/h3-6,10,19-21H,7,11H2,1-2H3,(H2,30,31)(H,32,36,37)/t19?,20-,21-/m1/s1
InChiKey: InChIKey=ACJZECJTLVWBPQ-RWLBOTFQSA-N

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