tert-Butyl 4-hydroxy-2-(methylthio)-5,6,7,9-tetrahydro-8H-pyrimido[4,5-c]azepine-8-carboxylate, 98%

cas: 2412424-99-6 — see every product listed under this CAS number, including other names

tert-Butyl 4-hydroxy-2-(methylthio)-5,6,7,9-tetrahydro-8H-pyrimido[4,5-c]azepine-8-carboxylate, 98% (CAS 2412424-99-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

Tert-butyl 2-methylsulfanyl-4-oxo-5,6,7,9-tetrahydro-3H-pyrimido[4,5-c]azepine-8-carboxylate (CAS 2412424-99-6) is a chemical compound with the molecular formula C14H21N3O3S and a molecular weight of 311.40 g/mol. IUPAC name: tert-butyl 2-methylsulfanyl-4-oxo-5,6,7,9-tetrahydro-3H-pyrimido[4,5-c]azepine-8-carboxylate. InChIKey: IAQADVQTPHNPMR-UHFFFAOYSA-N.

Identity

Molecular formula	C14H21N3O3S
Molecular weight	311.40 g/mol
IUPAC name	tert-butyl 2-methylsulfanyl-4-oxo-5,6,7,9-tetrahydro-3H-pyrimido[4,5-c]azepine-8-carboxylate
InChIKey	IAQADVQTPHNPMR-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)N1CCCC2=C(C1)N=C(NC2=O)SC

Computed by PubChem (NCBI)

Isomers (same molecular formula)

5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline C₁₄H₂₁N₃O₃S

1-benzoyl-4-(dimethylsulfamoylamino)piperidine C₁₄H₂₁N₃O₃S

N,N-dimethyl-2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethanamine oxide C₁₄H₂₁N₃O₃S

4-(4-piperazin-1-ylphenyl)sulfonylmorpholine C₁₄H₂₁N₃O₃S

1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbohydrazide C₁₄H₂₁N₃O₃S

1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbohydrazide C₁₄H₂₁N₃O₃S

7-azidoheptyl 4-methylbenzenesulfonate C₁₄H₂₁N₃O₃S

1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea C₁₄H₂₁N₃O₃S

1-[3-[2-(dimethylamino)ethyl]-2-hydroxy-1H-indol-5-yl]-N-methylmethanesulfonamide C₁₄H₂₁N₃O₃S

N,N,1-triethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide C₁₄H₂₁N₃O₃S

1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea C₁₄H₂₁N₃O₃S

1-(azepan-1-yl)-3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]sulfonylurea C₁₄H₂₁N₃O₃S