AG00BYHH

365996-87-8 | tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

AG00BYHH

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CAS Number	365996-87-8
Catalog Number	AG00BYHH(AGN-PC-01W33Y)
Chemical Name	tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
IUPAC Name	tert-butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI	InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3
InChI Key	OWHKZXFLURWFDL-UHFFFAOYSA-N
MDL Number	MFCD09839781
Molecular Formula	C12H17N3O4S
Molecular Weight	299.3461
SMILES	CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N=C2)S(C)(=O)=O
Synonyms	365996-87-8, TERT-BUTYL 2-(METHYLSULFONYL)-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE, tert-butyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate, AK-27438, tert-butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate, tert-Butyl 2-(methylsulfinyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate, 2-Methanesulfonyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester, 5,7-Dihydro-2-(methylsulphonyl)-6H-pyrrolo[3,4-d]pyrimidine, N6-BOC protected, OWHKZXFLURWFDL-UHFFFAOYSA-N, PubChem17806, SCHEMBL741206, CTK4H6885, KS-00000HEI, DTXSID30593814, CS-D1271, ZX-AT015149, ANW-56592, MFCD09839781, ZINC15022225, AKOS015852578, OR12766, RP06810, ACM365996878, AJ-67118, AN-28588, BBV-45003276, DS-10804, EN000785, SY105565, AX8158305, DB-069410, TR-039526, FT-0646152, MFCD22380121 (95%), 996B878, J-524412, 6-Boc-2-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine, 6-(tert-Butoxycarbonyl)-5,7-dihydro-2-methylsulfonyl-pyrrolo[3,4-d]pyrimidine, 6-(tert-Butoxycarbonyl)-5,7-dihydro-2-methylsulfonylpyrrolo[3,4-d]pyrimidine, tert-Butyl 2-(methanesulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate, tert-Butyl 5,7-dihydro-2-(methylsulphonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate, 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester, 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylicacid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester, tert-butyl2- -5H-pyrrolo[3,4-d]pyrimidine-6 -carboxylate,

Complexity	480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.094g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	299.345g/mol
Monoisotopic Mass	299.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	97.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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