4-[4-(2-azanylpropan-2-yl)phenyl]-2-[(3-fluorophenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(2-azanylpropan-2-yl)phenyl]-2-[(3-fluorophenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3-fluoroanilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3-fluoroanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3-fluoroanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3-fluoroanilino)pyrimidine-5-carbonitrile Formula: C20H18FN5 MolecularWeight: 347.388823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC(=CC=C3)F)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC(=CC=C3)F)N

InChI

InChI=1S/C20H18FN5/c1-20(2,23)15-8-6-13(7-9-15)18-14(11-22)12-24-19(26-18)25-17-5-3-4-16(21)10-17/h3-10,12H,23H2,1-2H3,(H,24,25,26)