(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-bromo-4,5-dimethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(2-bromo-4,5-dimethoxy-phenyl)acrylonitrile Formula: C20H17BrN6O2 MolecularWeight: 453.29198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)Br)OC

InChI

InChI=1S/C20H17BrN6O2/c1-28-16-9-12(15(21)10-17(16)29-2)8-13(11-22)18-25-19(23)27-20(26-18)24-14-6-4-3-5-7-14/h3-10H,1-2H3,(H3,23,24,25,26,27)/b13-8+