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

Systemtic Name: phenyl 2-acetamido-3-(2-acetamidophenyl)carbonyloxy-4-[(E)-[(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate Openeye Name: phenyl 2-acetamido-3-(2-acetamidobenzoyl)oxy-4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazono]methyl]benzoate CAS Name: 2-acetamido-3-[(2-acetamidophenyl)-oxomethoxy]-4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzoic acid phenyl ester IUPAC Name: phenyl 2-acetamido-3-(2-acetamidobenzoyl)oxy-4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate Traditional Name: 2-acetamido-3-(2-acetamidobenzoyl)oxy-4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]benzoic acid phenyl ester Formula: C38H30N10O6 MolecularWeight: 722.7082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)OC2=C(C=CC(=C2NC(=O)C)C(=O)OC3=CC=CC=C3)C=NNC4=NC(=NC(=N4)NC5=CC=CC=C5)C6=NC=NC=C6

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)OC2=C(C=CC(=C2NC(=O)C)C(=O)OC3=CC=CC=C3)/C=N/NC4=NC(=NC(=N4)NC5=CC=CC=C5)C6=NC=NC=C6

InChI

InChI=1S/C38H30N10O6/c1-23(49)42-30-16-10-9-15-28(30)35(51)54-33-25(17-18-29(32(33)43-24(2)50)36(52)53-27-13-7-4-8-14-27)21-41-48-38-46-34(31-19-20-39-22-40-31)45-37(47-38)44-26-11-5-3-6-12-26/h3-22H,1-2H3,(H,42,49)(H,43,50)(H2,44,45,46,47,48)/b41-21+