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

Systemtic Name: 4-[4-(2-azanylpropan-2-yl)phenyl]-2-[(3-fluoranyl-4-methyl-phenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3-fluoro-4-methyl-anilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3-fluoro-4-methylanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3-fluoro-4-methylanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3-fluoro-4-methyl-anilino)pyrimidine-5-carbonitrile Formula: C21H20FN5 MolecularWeight: 361.415403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)C3=CC=C(C=C3)C(C)(C)N)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)C3=CC=C(C=C3)C(C)(C)N)C#N)F

InChI

InChI=1S/C21H20FN5/c1-13-4-9-17(10-18(13)22)26-20-25-12-15(11-23)19(27-20)14-5-7-16(8-6-14)21(2,3)24/h4-10,12H,24H2,1-3H3,(H,25,26,27)