4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

CAS Registry Number®

137-76-8

CAS Name

4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

Molecular Formula

C18H26N4O6S

Molecular Mass

426.49

Cite this Page

4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137-76-8 (retrieved 2024-11-24) (CAS RN: 137-76-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113.5-114.5 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21)

InChIKey

InChIKey=YBROOZNJUDHTGE-UHFFFAOYSA-N

SMILES

C(N(C(=C(SC(OCC)=O)CCOC(OCC)=O)C)C=O)C=1C(N)=NC(C)=NC1

Canonical SMILES

O=CN(C(=C(SC(=O)OCC)CCOC(=O)OCC)C)CC1=CN=C(N=C1N)C

Other Names for this Substance

  • Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester
  • Carbonic acid, thio-, O-ethyl ester, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate (ester)
  • Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-pentenyl ethyl ester
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, bis(ethyl carbonate) (ester)
  • 4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

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