3NW

1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea


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Chemical Component Summary

Name1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
Identifiers1-[[2-[2-(2-dimethylaminoethylamino)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl]-3-ethyl-urea
FormulaC24 H34 N8 O S
Molecular Weight482.645
TypeNON-POLYMER
Isomeric SMILESCCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C
InChIInChI=1S/C24H34N8OS/c1-6-25-23(33)27-14-17-9-7-8-10-18(17)19-13-20(21-15-28-24(34-21)29-16(2)3)31-22(30-19)26-11-12-32(4)5/h7-10,13,15-16H,6,11-12,14H2,1-5H3,(H,28,29)(H2,25,27,33)(H,26,30,31)
InChIKeyJQWPDTBHOVYRPB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count0
Bond Count70
Aromatic Bond Count19

Related Resource References

Resource NameReference
Pharos CHEMBL1230171
PubChem 46864262
ChEMBL CHEMBL1230171