10-Propargyl-10-carboxy-4-deoxy-4-amino-10-deazapteroic acid

CAS Registry Number®

146464-92-8
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CAS Name

10-Propargyl-10-carboxy-4-deoxy-4-amino-10-deazapteroic acid

Molecular Formula

C19H16N6O4

Molecular Mass

392.37

Cite this Page

10-Propargyl-10-carboxy-4-deoxy-4-amino-10-deazapteroic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146464-92-8 (retrieved 2024-07-07) (CAS RN: 146464-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H16N6O4/c1-2-7-19(17(28)29,11-5-3-10(4-6-11)16(26)27)8-12-9-22-15-13(23-12)14(20)24-18(21)25-15/h1,3-6,9H,7-8H2,(H,26,27)(H,28,29)(H4,20,21,22,24,25)

InChIKey

InChIKey=ILBWWYWWFMIPHY-UHFFFAOYSA-N

SMILES

C(CC1=NC2=C(N=C1)N=C(N)N=C2N)(CC#C)(C(O)=O)C3=CC=C(C(O)=O)C=C3

Canonical SMILES

O=C(O)C1=CC=C(C=C1)C(C(=O)O)(CC#C)CC=2N=C3C(=NC2)N=C(N=C3N)N

Other Names for this Substance

  • 6-Pteridinepropanoic acid, 2,4-diamino-α-(4-carboxyphenyl)-α-2-propyn-1-yl-
  • 6-Pteridinepropanoic acid, 2,4-diamino-α-(4-carboxyphenyl)-α-2-propynyl-
  • 2,4-Diamino-α-(4-carboxyphenyl)-α-2-propyn-1-yl-6-pteridinepropanoic acid
  • 10-Propargyl-10-carboxy-4-deoxy-4-amino-10-deazapteroic acid