6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)

CAS Registry Number®

917805-74-4

CAS Name

6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)

Molecular Formula

C22H28FN3O6S.C4H11N

Cite this Page

6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=917805-74-4 (retrieved 2025-01-05) (CAS RN: 917805-74-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28FN3O6S.C4H11N/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;1-4(2,3)5/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);5H2,1-3H3/b10-9+;/t16-,17-;/m1./s1

InChIKey

InChIKey=OBQRUQWCSRLLAM-DHMAKVBVSA-N

SMILES

C(=C/[C@H](C[C@H](CC(O)=O)O)O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2.C(C)(C)(C)N

Canonical SMILES

O=C(O)CC(O)CC(O)C=CC=1C(=NC(=NC1C(C)C)N(C)S(=O)(=O)C)C=2C=CC(F)=CC2.NC(C)(C)C

Other Names for this Substance

  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)

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