Acetic acid, 2-(acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-penten-1-yl ester

CAS Registry Number®

10072-48-7

CAS Name

Acetic acid, 2-(acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-penten-1-yl ester

Molecular Formula

C21H24N4O7S

Molecular Mass

476.50

Cite this Page

Acetic acid, 2-(acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-penten-1-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10072-48-7 (retrieved 2024-11-22) (CAS RN: 10072-48-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)

InChIKey

InChIKey=MYBUGVXNAHWTOL-UHFFFAOYSA-N

SMILES

C(N(C(=C(SC(=O)C1=CC=CO1)CCOC(COC(C)=O)=O)C)C=O)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=CN(C(=C(SC(=O)C=1OC=CC1)CCOC(=O)COC(=O)C)C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Acetic acid, 2-(acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-penten-1-yl ester
  • 2-Furoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide glycolate (ester) acetate (ester)
  • Acetic acid, (acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-pentenyl ester
  • Glycolic acid, O-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide, acetate (ester), S-2-furoate
  • Acefurtiamine

View All

Deleted or Replaced CAS Registry Numbers

27988-87-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration