phenyl 3-bromanyl-6-chloranyl-2-methoxy-4-[(E)-[(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate

Systemtic Name: phenyl 3-bromanyl-6-chloranyl-2-methoxy-4-[(E)-[(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate Openeye Name: phenyl 4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazono]methyl]-3-bromo-6-chloro-2-methoxy-benzoate CAS Name: 4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-3-bromo-6-chloro-2-methoxybenzoic acid phenyl ester IUPAC Name: phenyl 4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-3-bromo-6-chloro-2-methoxybenzoate Traditional Name: 4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]-3-bromo-6-chloro-2-methoxy-benzoic acid phenyl ester Formula: C28H20BrClN8O3 MolecularWeight: 631.8672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1C(=O)OC2=CC=CC=C2)Cl)C=NNC3=NC(=NC(=N3)NC4=CC=CC=C4)C5=NC=NC=C5)Br

Isomeric SMILES

COC1=C(C(=CC(=C1C(=O)OC2=CC=CC=C2)Cl)/C=N/NC3=NC(=NC(=N3)NC4=CC=CC=C4)C5=NC=NC=C5)Br

InChI

InChI=1S/C28H20BrClN8O3/c1-40-24-22(26(39)41-19-10-6-3-7-11-19)20(30)14-17(23(24)29)15-33-38-28-36-25(21-12-13-31-16-32-21)35-27(37-28)34-18-8-4-2-5-9-18/h2-16H,1H3,(H2,34,35,36,37,38)/b33-15+