4-[[1-azanyl-5-(4-bromanyl-2,6-dimethyl-phenoxy)-1,3,5-triazinan-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[1-azanyl-5-(4-bromanyl-2,6-dimethyl-phenoxy)-1,3,5-triazinan-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[1-amino-5-(4-bromo-2,6-dimethyl-phenoxy)-1,3,5-triazinan-2-yl]amino]benzonitrile CAS Name: 4-[[1-amino-5-(4-bromo-2,6-dimethylphenoxy)-1,3,5-triazinan-2-yl]amino]benzonitrile IUPAC Name: 4-[[1-amino-5-(4-bromo-2,6-dimethylphenoxy)-1,3,5-triazinan-2-yl]amino]benzonitrile Traditional Name: 4-[[1-amino-5-(4-bromo-2,6-dimethyl-phenoxy)-1,3,5-triazinan-2-yl]amino]benzonitrile Formula: C18H21BrN6O MolecularWeight: 417.30294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1ON2CNC(N(C2)N)NC3=CC=C(C=C3)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1ON2CNC(N(C2)N)NC3=CC=C(C=C3)C#N)C)Br

InChI

InChI=1S/C18H21BrN6O/c1-12-7-15(19)8-13(2)17(12)26-24-10-22-18(25(21)11-24)23-16-5-3-14(9-20)4-6-16/h3-8,18,22-23H,10-11,21H2,1-2H3