GH4
4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
Find entries where: GH4
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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Name | 4-[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 |
Formula | C21 H19 F N4 O3 |
Molecular Weight | 394.399 |
Type | NON-POLYMER |
Isomeric SMILES | [H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F |
InChI | InChI=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+ |
InChIKey | WKKCNOKGPKWFJS-FOKLQQMPSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 48 |
Chiral Atom Count | 0 |
Bond Count | 51 |
Aromatic Bond Count | 18 |