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

Systemtic Name: phenyl 3-bromanyl-2-ethoxy-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-ethoxy-benzoate CAS Name: 4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-3-bromo-2-ethoxybenzoic 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-ethoxybenzoate Traditional Name: 4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]-3-bromo-2-ethoxy-benzoic acid phenyl ester Formula: C29H23BrN8O3 MolecularWeight: 611.44872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H23BrN8O3/c1-2-40-25-22(27(39)41-21-11-7-4-8-12-21)14-13-19(24(25)30)17-33-38-29-36-26(23-15-16-31-18-32-23)35-28(37-29)34-20-9-5-3-6-10-20/h3-18H,2H2,1H3,(H2,34,35,36,37,38)/b33-17+