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CHEBI:39621 - 2,6-dimethylphenyl 2-{3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}pyrimidin-4-yl-(2,4-dimethoxyphenyl)carbamate

ChEBI IDCHEBI:39621
ChEBI Name2,6-dimethylphenyl 2-{3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}pyrimidin-4-yl-(2,4-dimethoxyphenyl)carbamate
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC37H46N6O7
Net Charge0
Average Mass686.810
Monoisotopic Mass686.34280
SMILES[H]c1nc(N([H])c2c([H])c(OC([H])([H])[H])c(OC([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])c(OC([H])([H])[H])c2[H])nc(N(C(=O)Oc2c(C([H])([H])[H])c([H])c([H])c([H])c2C([H])([H])[H])c2c([H])c([H])c(OC([H])([H])[H])c([H])c2OC([H])([H])[H])c1[H]
InChIInChI=1S/C37H46N6O7/c1-25-10-8-11-26(2)34(25)50-37(44)43(29-13-12-28(45-4)24-30(29)46-5)33-14-15-38-36(40-33)39-27-22-31(47-6)35(32(23-27)48-7)49-21-9-16-42-19-17-41(3)18-20-42/h8,10-15,22-24H,9,16-21H2,1-7H3,(H,38,39,40)
InChIKeyVSJXTUFWPAOYLC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethylphenyl 2-{3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}pyrimidin-4-yl-(2,4-dimethoxyphenyl)carbamate (CHEBI:39621) is a N-methylpiperazine (CHEBI:46920)
2,6-dimethylphenyl 2-{3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}pyrimidin-4-yl-(2,4-dimethoxyphenyl)carbamate (CHEBI:39621) is a aminopyrimidine (CHEBI:38338)
2,6-dimethylphenyl 2-{3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}pyrimidin-4-yl-(2,4-dimethoxyphenyl)carbamate (CHEBI:39621) is a carbamate ester (CHEBI:23003)
Synonyms  Source
2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATEPDBeChem
2,6-dimethylphenyl [2-({3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrimidin-4-yl](2,4-dimethoxyphenyl)carbamatePDBeChem
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