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

CAS Registry Number®

18481-23-7
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CAS Name

Butanoic acid, 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, 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=18481-23-7 (retrieved 2024-05-18) (CAS RN: 18481-23-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133-135 °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)

InChIKey

InChIKey=YMEBNAABDXLAJE-UHFFFAOYSA-N

SMILES

C(N(C(=C(SSC(=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, 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]
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, dibutyrate (ester)
  • O-Butyrylthiamine disulfide
  • BuTDS

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Deleted or Replaced CAS Registry Numbers

16994-45-9, 856294-00-3, 1195449-58-1

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