6-[(4-Chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxoisothiazolo[4,3-d]pyrimidine-3-carboxylic acid
CAS Registry Number®
1779133-21-9
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CAS Name
6-[(4-Chlorophenyl)methyl]-6,7-dihydro-5-methyl-7-oxoisothiazolo[4,3-d]pyrimidine-3-carboxylic acidMolecular Formula
C14H10ClN3O3SMolecular Mass
335.77Cite 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 ) (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