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

Systemtic Name: phenyl 3-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-methoxy-benzoate CAS Name: 4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-3-methoxybenzoic acid phenyl ester IUPAC Name: phenyl 4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-3-methoxybenzoate Traditional Name: 4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]-3-methoxy-benzoic acid phenyl ester Formula: C28H22N8O3 MolecularWeight: 518.52608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)C=NNC3=NC(=NC(=N3)NC4=CC=CC=C4)C5=NC=NC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2)/C=N/NC3=NC(=NC(=N3)NC4=CC=CC=C4)C5=NC=NC=C5

InChI

InChI=1S/C28H22N8O3/c1-38-24-16-19(26(37)39-22-10-6-3-7-11-22)12-13-20(24)17-31-36-28-34-25(23-14-15-29-18-30-23)33-27(35-28)32-21-8-4-2-5-9-21/h2-18H,1H3,(H2,32,33,34,35,36)/b31-17+