GH4

4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile



Chemical Component Summary

Name4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
Identifiers~{N}-(1,3-benzodioxol-5-ylmethyl)-5-fluoranyl-2-(iminomethyl)-~{N}-(2-phenoxyethyl)pyrimidin-4-amine
FormulaC21 H19 F N4 O3
Molecular Weight394.399
TypeNON-POLYMER
Isomeric SMILES[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F
InChIInChI=1S/C21H19FN4O3/c22-17-12-24-20(11-23)25-21(17)26(8-9-27-16-4-2-1-3-5-16)13-15-6-7-18-19(10-15)29-14-28-18/h1-7,10-12,23H,8-9,13-14H2/b23-11+
InChIKeyWKKCNOKGPKWFJS-FOKLQQMPSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count18