4-[[4-azanyl-6-[(5-bromanyl-2-methoxy-phenyl)methyl]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-[(5-bromanyl-2-methoxy-phenyl)methyl]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-[(5-bromo-2-methoxy-phenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-[(5-bromo-2-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-[(5-bromo-2-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(5-bromo-2-methoxy-benzyl)-s-triazin-2-yl]amino]benzonitrile Formula: C18H15BrN6O MolecularWeight: 411.2553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C18H15BrN6O/c1-26-15-7-4-13(19)8-12(15)9-16-23-17(21)25-18(24-16)22-14-5-2-11(10-20)3-6-14/h2-8H,9H2,1H3,(H3,21,22,23,24,25)