3-(3-bromanyl-4-methoxy-phenyl)-N-[3-(pyrimidin-2-ylamino)propyl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[3-(pyrimidin-2-ylamino)propyl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[3-(pyrimidin-2-ylamino)propyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[3-(2-pyrimidinylamino)propyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[3-(pyrimidin-2-ylamino)propyl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[3-(2-pyrimidylamino)propyl]propionamide Formula: C17H21BrN4O2 MolecularWeight: 393.27824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCCNC2=NC=CC=N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCCNC2=NC=CC=N2)Br

InChI

InChI=1S/C17H21BrN4O2/c1-24-15-6-4-13(12-14(15)18)5-7-16(23)19-8-2-9-20-17-21-10-3-11-22-17/h3-4,6,10-12H,2,5,7-9H2,1H3,(H,19,23)(H,20,21,22)