4-[[4-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-2-methoxy-6-methyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-bromo-2-methoxy-6-methylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-bromo-2-methoxy-6-methylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-bromo-2-methoxy-6-methyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C19H16BrN5O MolecularWeight: 410.26724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)OC)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)OC)Br

InChI

InChI=1S/C19H16BrN5O/c1-12-9-14(20)10-16(26-2)18(12)24-17-7-8-22-19(25-17)23-15-5-3-13(11-21)4-6-15/h3-10H,1-2H3,(H2,22,23,24,25)