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761439-42-3 molecular structure
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5-chloro-2-N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine

ChemBase ID: 72516
Molecular Formular: C30H40ClN7O3S
Molecular Mass: 614.2017
Monoisotopic Mass: 613.26018686
SMILES and InChIs

SMILES:
c1cc(cc(c1Nc1ncc(c(n1)Nc1c(cccc1)S(=O)(=O)C(C)C)Cl)OC)N1CCC(CC1)N1CCN(CC1)C
Canonical SMILES:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C
InChI:
InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
InChIKey:
QQWUGDVOUVUTOY-UHFFFAOYSA-N

Cite this record

CBID:72516 http://www.chembase.cn/molecule-72516.html

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