3I6

4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE


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Chemical Component Summary

Name4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE
Identifiers4-[[5-bromanyl-4-[[(2R)-1-oxidanylpropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
FormulaC13 H16 Br N5 O3 S
Molecular Weight402.267
TypeNON-POLYMER
Isomeric SMILESC[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br
InChIInChI=1S/C13H16BrN5O3S/c1-8(7-20)17-12-11(14)6-16-13(19-12)18-9-2-4-10(5-3-9)23(15,21)22/h2-6,8,20H,7H2,1H3,(H2,15,21,22)(H2,16,17,18,19)/t8-/m1/s1
InChIKeyMJIALGDLOLWBRQ-MRVPVSSYSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count40
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 58890996