2-azanyl-3-[4-azanyl-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-azanyl-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]benzonitrile IUPAC Name: 2-amino-3-[4-amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-amino-6-(2,6-dimethylphenoxy)-s-triazin-2-yl]benzonitrile Formula: C18H16N6O MolecularWeight: 332.35924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=NC(=NC(=N2)N)C3=CC=CC(=C3N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=NC(=NC(=N2)N)C3=CC=CC(=C3N)C#N

InChI

InChI=1S/C18H16N6O/c1-10-5-3-6-11(2)15(10)25-18-23-16(22-17(21)24-18)13-8-4-7-12(9-19)14(13)20/h3-8H,20H2,1-2H3,(H2,21,22,23,24)