3-[3-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4-fluoroanilino)-4-pyrimidinyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]indol-1-yl]propionitrile Formula: C21H16FN5 MolecularWeight: 357.383643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C3=NC(=NC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C3=NC(=NC=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5/c22-15-6-8-16(9-7-15)25-21-24-12-10-19(26-21)18-14-27(13-3-11-23)20-5-2-1-4-17(18)20/h1-2,4-10,12,14H,3,13H2,(H,24,25,26)