N-[4-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid

CAS Registry Number®

18921-73-8

CAS Name

N-[4-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid

Molecular Formula

C20H19ClN6O5

Molecular Mass

458.86

Cite this Page

N-[4-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18921-73-8 (retrieved 2024-12-23) (CAS RN: 18921-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H19ClN6O5/c21-16-10(3-6-12-15(16)17(22)27-20(23)26-12)8-24-11-4-1-9(2-5-11)18(30)25-13(19(31)32)7-14(28)29/h1-6,13,24H,7-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t13-/m0/s1

InChIKey

InChIKey=GWIBVUFMBFNYLT-ZDUSSCGKSA-N

SMILES

ClC=1C2=C(C=CC1CNC3=CC=C(C(N[C@@H](CC(O)=O)C(O)=O)=O)C=C3)N=C(N)N=C2N

Canonical SMILES

O=C(O)CC(NC(=O)C1=CC=C(C=C1)NCC2=CC=C3N=C(N=C(N)C3=C2Cl)N)C(=O)O

Other Names for this Substance

  • L-Aspartic acid, N-[4-[[(2,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-
  • Aspartic acid, N-[p-[[(2,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-, L-
  • N-[4-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid
  • Chlorasquin
  • NSC 529861

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CAS INSIGHTSTM
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