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

Systemtic Name: phenyl 3-bromanyl-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-2-methoxy-benzoate CAS Name: 4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-3-bromo-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-2-methoxybenzoate Traditional Name: 4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]-3-bromo-2-methoxy-benzoic acid phenyl ester Formula: C28H21BrN8O3 MolecularWeight: 597.42214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Br)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)C4=NC=NC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1Br)/C=N/NC2=NC(=NC(=N2)NC3=CC=CC=C3)C4=NC=NC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H21BrN8O3/c1-39-24-21(26(38)40-20-10-6-3-7-11-20)13-12-18(23(24)29)16-32-37-28-35-25(22-14-15-30-17-31-22)34-27(36-28)33-19-8-4-2-5-9-19/h2-17H,1H3,(H2,33,34,35,36,37)/b32-16+