1,4-Dihydro-α-methyl-4-oxo-2-thioxo-3(2H)-quinazolineacetic acid

CAS Registry Number®

17785-55-6
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CAS Name

1,4-Dihydro-α-methyl-4-oxo-2-thioxo-3(2H)-quinazolineacetic acid

Molecular Formula

C11H10N2O3S

Molecular Mass

250.27

Cite this Page

1,4-Dihydro-α-methyl-4-oxo-2-thioxo-3(2H)-quinazolineacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17785-55-6 (retrieved 2024-08-22) (CAS RN: 17785-55-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H10N2O3S/c1-6(10(15)16)13-9(14)7-4-2-3-5-8(7)12-11(13)17/h2-6H,1H3,(H,12,17)(H,15,16)

InChIKey

InChIKey=ULXFFSMPYTVYQY-UHFFFAOYSA-N

SMILES

O=C1C=2C(NC(=S)N1C(C(O)=O)C)=CC=CC2

Canonical SMILES

O=C(O)C(N1C(=O)C=2C=CC=CC2NC1=S)C

Other Names for this Substance

  • 3(2H)-Quinazolineacetic acid, 1,4-dihydro-α-methyl-4-oxo-2-thioxo-
  • 1,4-Dihydro-α-methyl-4-oxo-2-thioxo-3(2H)-quinazolineacetic acid
  • 2-(2-Mercapto-4-oxoquinazolin-3(4H)-yl)propanoic acid
  • 2-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid

Deleted or Replaced CAS Registry Numbers

130568-79-5