3RQ

4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile


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Chemical Component Summary

Name4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Identifiers4-[2,4-bis(chloranyl)-5-methoxy-phenyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
FormulaC15 H10 Cl2 N4 O
Molecular Weight333.172
TypeNON-POLYMER
Isomeric SMILESCc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC
InChIInChI=1S/C15H10Cl2N4O/c1-7-20-14(13-8(5-18)6-19-15(13)21-7)9-3-12(22-2)11(17)4-10(9)16/h3-4,6H,1-2H3,(H,19,20,21)
InChIKeyXQAFNWQVIXKAPE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 52940059
ChEMBL CHEMBL1738737