(E)-2-(2-methoxy-5-thiophen-2-yl-phenyl)-3-[4-(pyrimidin-2-ylamino)phenyl]prop-2-enal

Systemtic Name: (E)-2-(2-methoxy-5-thiophen-2-yl-phenyl)-3-[4-(pyrimidin-2-ylamino)phenyl]prop-2-enal Openeye Name: (E)-2-[2-methoxy-5-(2-thienyl)phenyl]-3-[4-(pyrimidin-2-ylamino)phenyl]prop-2-enal CAS Name: (E)-2-(2-methoxy-5-thiophen-2-ylphenyl)-3-[4-(2-pyrimidinylamino)phenyl]-2-propenal IUPAC Name: (E)-2-(2-methoxy-5-thiophen-2-ylphenyl)-3-[4-(pyrimidin-2-ylamino)phenyl]prop-2-enal Traditional Name: (E)-2-[2-methoxy-5-(2-thienyl)phenyl]-3-[4-(2-pyrimidylamino)phenyl]acrolein Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CS2)C(=CC3=CC=C(C=C3)NC4=NC=CC=N4)C=O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CS2)/C(=C\C3=CC=C(C=C3)NC4=NC=CC=N4)/C=O

InChI

InChI=1S/C24H19N3O2S/c1-29-22-10-7-18(23-4-2-13-30-23)15-21(22)19(16-28)14-17-5-8-20(9-6-17)27-24-25-11-3-12-26-24/h2-16H,1H3,(H,25,26,27)/b19-14-