Propanedioic acid, 2-[[[3-(6,7-dihydro-7-oxo-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]-, 1,3-diethyl ester

CAS Registry Number®

66975-54-0

CAS Name

Propanedioic acid, 2-[[[3-(6,7-dihydro-7-oxo-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]-, 1,3-diethyl ester

Molecular Formula

C21H24N6O6

Molecular Mass

456.45

Cite this Page

Propanedioic acid, 2-[[[3-(6,7-dihydro-7-oxo-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]-, 1,3-diethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66975-54-0 (retrieved 2024-11-25) (CAS RN: 66975-54-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24N6O6/c1-4-9-33-15-8-7-12(22-11-14(20(29)31-5-2)21(30)32-6-3)10-13(15)17-23-18-16(19(28)24-17)25-27-26-18/h7-8,10-11,22H,4-6,9H2,1-3H3,(H2,23,24,25,26,27,28)

InChIKey

InChIKey=ITGFXWLYTIYANG-UHFFFAOYSA-N

SMILES

O(CCC)C1=C(C=C(NC=C(C(OCC)=O)C(OCC)=O)C=C1)C=2NC3=C(C(=O)N2)NN=N3

Canonical SMILES

O=C1N=C(NC=2N=NNC12)C=3C=C(C=CC3OCCC)NC=C(C(=O)OCC)C(=O)OCC

Other Names for this Substance

  • Propanedioic acid, 2-[[[3-(6,7-dihydro-7-oxo-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]-, 1,3-diethyl ester
  • Propanedioic acid, [[[3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]-, diethyl ester
  • 1H-1,2,3-Triazolo[4,5-d]pyrimidine, propanedioic acid deriv.

CAS INSIGHTSTM
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