4-[[6-azanyl-5-bromanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]methyl]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[6-azanyl-5-bromanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]methyl]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]methyl]-3,5-dimethyl-benzonitrile CAS Name: 4-[[6-amino-5-bromo-2-(4-cyanoanilino)-4-pyrimidinyl]methyl]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]methyl]-3,5-dimethylbenzonitrile Traditional Name: 4-[[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]methyl]-3,5-dimethyl-benzonitrile Formula: C21H17BrN6 MolecularWeight: 433.30388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1CC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Br)C)C#N

InChI

InChI=1S/C21H17BrN6/c1-12-7-15(11-24)8-13(2)17(12)9-18-19(22)20(25)28-21(27-18)26-16-5-3-14(10-23)4-6-16/h3-8H,9H2,1-2H3,(H3,25,26,27,28)