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

Systemtic Name: 4-[[4-azanyl-6-(4-ethanoyl-2,6-dimethyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-acetyl-2,6-dimethyl-phenoxy)-6-amino-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-acetyl-2,6-dimethylphenoxy)-6-amino-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-(4-acetyl-2,6-dimethylphenoxy)-6-amino-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-acetyl-2,6-dimethyl-phenoxy)-6-amino-s-triazin-2-yl]amino]benzonitrile Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C)C(=O)C

InChI

InChI=1S/C20H18N6O2/c1-11-8-15(13(3)27)9-12(2)17(11)28-20-25-18(22)24-19(26-20)23-16-6-4-14(10-21)5-7-16/h4-9H,1-3H3,(H3,22,23,24,25,26)