6-[(4-Chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxoisothiazolo[4,3-d]pyrimidine-3-carboxylic acid

CAS Registry Number®

1779133-21-9

CAS Name

6-[(4-Chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxoisothiazolo[4,3-d]pyrimidine-3-carboxylic acid

Molecular Formula

C14H10ClN3O3S

Molecular Mass

335.77

Cite this Page

6-[(4-Chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxoisothiazolo[4,3-d]pyrimidine-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1779133-21-9 (retrieved 2024-11-25) (CAS RN: 1779133-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H10ClN3O3S/c1-7-16-10-11(17-22-12(10)14(20)21)13(19)18(7)6-8-2-4-9(15)5-3-8/h2-5H,6H2,1H3,(H,20,21)

InChIKey

InChIKey=PJCIUIXTEURGCZ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C2C(C(=O)N(CC3=CC=C(Cl)C=C3)C(C)=N2)=NS1

Canonical SMILES

O=C(O)C=1SN=C2C(=O)N(C(=NC21)C)CC3=CC=C(Cl)C=C3

Other Names for this Substance

  • Isothiazolo[4,3-d]pyrimidine-3-carboxylic acid, 6-[(4-chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxo-
  • 6-[(4-Chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxoisothiazolo[4,3-d]pyrimidine-3-carboxylic acid

CAS INSIGHTSTM
Hourglass and a clock