AG002RAG

259809-79-5 | Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 7,8-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester

AG002RAG

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CAS Number	259809-79-5
Catalog Number	AG002RAG(AGN-PC-03TNXX)
Chemical Name	Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 7,8-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
InChI	InChI=1S/C13H19N3O4S/c1-13(2,3)20-12(17)16-6-5-10-9(8-16)7-14-11(15-10)21(4,18)19/h7H,5-6,8H2,1-4H3
InChI Key	XJOLEDYHJUZKPW-UHFFFAOYSA-N
MDL Number	MFCD09839783
Molecular Formula	C13H19N3O4S
Molecular Weight	313.3727
SMILES	O=C(N1CCC2=NC(S(=O)(C)=O)=NC=C2C1)OC(C)(C)C
Synonyms	259809-79-5, tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5H)-carboxylate, TERT-BUTYL 2-(METHYLSULFONYL)-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE, AK-27531, 6-BOC-2-(METHYLSULFONYL)-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE, tert-butyl 2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate, W-206999, tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido-[4,3-d]pyrimidine-6(5H)-carboxylate, XJOLEDYHJUZKPW-UHFFFAOYSA-N, PubChem15548, SCHEMBL786189, CTK4F6886, DTXSID60627671, KS-00000H4V, ANW-48465, MFCD09839783, SC1071, ZINC30678428, AKOS015852562, ACN-049114, CS-W003665, PB20420, RP07685, ACM259809795, AJ-84089, AN-29170, BR-27531, DS-10831, SY006930, AX8152976, DB-067514, TR-011774, FT-0645580, ST24031849, W4935, MFCD09839783 (95%), S-6473, 809B795, A818127, 2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester, 6-(tert-Butoxycarbonyl)-2-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, tert-Butyl 2-(methanesulfonyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate, tert-butyl 2-methanesulfonyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate, tert-butyl 2-methanesulfonyl-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate, 2-METHANESULFONYL-7,8-DIHYDRO-5H-PYRIDO[4,3-D]PYRIMIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER, Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 7,8-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester, Pyrido[4,3-d]pyrimidine-6(5H)-carboxylicacid, 7,8-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester, C13H19N3O4S, tert-butyl 2-(methylsulfonyl)-7,8-dihydropyrido[4,3-d] pyrimidine-6(5H)-carboxylate,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.11g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	313.372g/mol
Monoisotopic Mass	313.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	97.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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