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

Systemtic Name: phenyl 3-bromanyl-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-benzoate CAS Name: 4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-3-bromobenzoic acid phenyl ester IUPAC Name: phenyl 4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-3-bromobenzoate Traditional Name: 4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]-3-bromo-benzoic acid phenyl ester Formula: C27H19BrN8O2 MolecularWeight: 567.39616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=NC=NC=C3)NN=CC4=C(C=C(C=C4)C(=O)OC5=CC=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=NC=NC=C3)N/N=C/C4=C(C=C(C=C4)C(=O)OC5=CC=CC=C5)Br

InChI

InChI=1S/C27H19BrN8O2/c28-22-15-18(25(37)38-21-9-5-2-6-10-21)11-12-19(22)16-31-36-27-34-24(23-13-14-29-17-30-23)33-26(35-27)32-20-7-3-1-4-8-20/h1-17H,(H2,32,33,34,35,36)/b31-16+