N-[(E)-1-bromanyl-3-oxidanylidene-1-pyridin-4-yl-3-(pyrimidin-2-ylamino)prop-1-en-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(E)-1-bromanyl-3-oxidanylidene-1-pyridin-4-yl-3-(pyrimidin-2-ylamino)prop-1-en-2-yl]cyclohexanecarboxamide Openeye Name: N-[(E)-2-bromo-2-(4-pyridyl)-1-(pyrimidin-2-ylcarbamoyl)vinyl]cyclohexanecarboxamide CAS Name: N-[(E)-1-bromo-3-oxo-1-pyridin-4-yl-3-(2-pyrimidinylamino)prop-1-en-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(E)-1-bromo-3-oxo-1-pyridin-4-yl-3-(pyrimidin-2-ylamino)prop-1-en-2-yl]cyclohexanecarboxamide Traditional Name: N-[(E)-2-bromo-2-(4-pyridyl)-1-(2-pyrimidylcarbamoyl)vinyl]cyclohexanecarboxamide Formula: C19H20BrN5O2 MolecularWeight: 430.2984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=C(C2=CC=NC=C2)Br)C(=O)NC3=NC=CC=N3

Isomeric SMILES

C1CCC(CC1)C(=O)N/C(=C(\C2=CC=NC=C2)/Br)/C(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H20BrN5O2/c20-15(13-7-11-21-12-8-13)16(18(27)25-19-22-9-4-10-23-19)24-17(26)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2,(H,24,26)(H,22,23,25,27)/b16-15+