2-[[4-cyano-3-[3-(4-fluoranylphenoxy)propoxy]phenyl]amino]pyrimidine-4-carboxamide

Systemtic Name: 2-[[4-cyano-3-[3-(4-fluoranylphenoxy)propoxy]phenyl]amino]pyrimidine-4-carboxamide Openeye Name: 2-[4-cyano-3-[3-(4-fluorophenoxy)propoxy]anilino]pyrimidine-4-carboxamide CAS Name: 2-[4-cyano-3-[3-(4-fluorophenoxy)propoxy]anilino]-4-pyrimidinecarboxamide IUPAC Name: 2-[4-cyano-3-[3-(4-fluorophenoxy)propoxy]anilino]pyrimidine-4-carboxamide Traditional Name: 2-[4-cyano-3-[3-(4-fluorophenoxy)propoxy]anilino]pyrimidine-4-carboxamide Formula: C21H18FN5O3 MolecularWeight: 407.397723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCOC2=C(C=CC(=C2)NC3=NC=CC(=N3)C(=O)N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1OCCCOC2=C(C=CC(=C2)NC3=NC=CC(=N3)C(=O)N)C#N)F

InChI

InChI=1S/C21H18FN5O3/c22-15-3-6-17(7-4-15)29-10-1-11-30-19-12-16(5-2-14(19)13-23)26-21-25-9-8-18(27-21)20(24)28/h2-9,12H,1,10-11H2,(H2,24,28)(H,25,26,27)