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名称: Intermediate 4

IUPAC: tert-butyl N-[3-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl-methylsulfonylamino]propyl]carbamate

SMILES: CC(C)(C)OC(=O)NCCCN(Cc1cccc(-c2ccnc(Cl)n2)c1)S(C)(=O)=O

Canonical SMILES: CC(C)(C)OC(=O)NCCCN(CC1=CC(=CC=C1)C2=NC(=NC=C2)Cl)S(=O)(=O)C

分子式: C20H27ClN4O4S

分子量: 455.00

InChIKey: MIAPUTOPBFNXGX-UHFFFAOYSA-N

InChI: InChI=1S/C20H27ClN4O4S/c1-20(2,3)29-19(26)23-10-6-12-25(30(4,27)28)14-15-7-5-8-16(13-15)17-9-11-22-18(21)24-17/h5,7-9,11,13H,6,10,12,14H2,1-4H3,(H,23,26)

PubChem CID: 86603242 →

同義語

SCHEMBL1468196MIAPUTOPBFNXGX-UHFFFAOYSA-N(3-{[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-methanesulfonyl-amino}-propyl)-carbamic acid tert-butyl ester

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