Butanoic acid, 1,1′-[dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl]] ester

CAS Registry Number®

3286-45-1

CAS Name

Butanoic acid, 1,1′-[dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl]] ester

Molecular Formula

C32H46N8O6S2

Molecular Mass

702.89

Cite this Page

Butanoic acid, 1,1′-[dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl]] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3286-45-1 (retrieved 2025-04-19) (CAS RN: 3286-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-87 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22+

InChIKey

InChIKey=YMEBNAABDXLAJE-KKTFQPMKSA-N

SMILES

C(N(/C(=C(\SS/C(=C(/N(CC=1C(N)=NC(C)=NC1)C=O)\C)/CCOC(CCC)=O)/CCOC(CCC)=O)/C)C=O)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=CN(C(=C(SSC(=C(N(C=O)CC1=CN=C(N=C1N)C)C)CCOC(=O)CCC)CCOC(=O)CCC)C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Butanoic acid, 1,1′-[dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl]] ester
  • Butyric acid, diester with N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide], (E,Z)-
  • Butanoic acid, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester, (E,Z)-
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, dibutyrate (ester), (E,Z)-

Deleted or Replaced CAS Registry Numbers

54690-41-4, 1195202-52-8

CAS INSIGHTSTM
Illustration of microRNA (ribonucleic acid) molecules. MicroRNAs