8TK

4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile


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Chemical Component Summary

Name4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
Identifiers4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
FormulaC21 H18 N6 O S
Molecular Weight402.472
TypeNON-POLYMER
Isomeric SMILESCC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N
InChIInChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1
InChIKeyXLCBQUCCOPILIO-ZDUSSCGKSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count50
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL4073594
PubChem 137348751
ChEMBL CHEMBL4073594