N-[[6-fluoranyl-8-(furan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-pyrimidin-2-yl-propane-1,3-diamine

Systemtic Name: N-[[6-fluoranyl-8-(furan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-pyrimidin-2-yl-propane-1,3-diamine Openeye Name: N-[[6-fluoro-8-(2-furyl)chroman-2-yl]methyl]-N'-pyrimidin-2-yl-propane-1,3-diamine CAS Name: N-[[6-fluoro-8-(2-furanyl)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-N'-(2-pyrimidinyl)propane-1,3-diamine IUPAC Name: N-[[6-fluoro-8-(furan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine Traditional Name: [6-fluoro-8-(2-furyl)chroman-2-yl]methyl-[3-(2-pyrimidylamino)propyl]amine Formula: C21H23FN4O2 MolecularWeight: 382.431323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC(=C2)F)C3=CC=CO3)OC1CNCCCNC4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C(=CC(=C2)F)C3=CC=CO3)OC1CNCCCNC4=NC=CC=N4

InChI

InChI=1S/C21H23FN4O2/c22-16-12-15-5-6-17(28-20(15)18(13-16)19-4-1-11-27-19)14-23-7-2-8-24-21-25-9-3-10-26-21/h1,3-4,9-13,17,23H,2,5-8,14H2,(H,24,25,26)