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

Systemtic Name: 4-[4-(2-azanylpropan-2-yl)phenyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3-chloro-4-fluoro-anilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3-chloro-4-fluoroanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3-chloro-4-fluoro-anilino)pyrimidine-5-carbonitrile Formula: C20H17ClFN5 MolecularWeight: 381.833883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN5/c1-20(2,24)14-5-3-12(4-6-14)18-13(10-23)11-25-19(27-18)26-15-7-8-17(22)16(21)9-15/h3-9,11H,24H2,1-2H3,(H,25,26,27)