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

Systemtic Name: phenyl 3-(2-aminophenyl)carbonyloxy-2-azanyl-4-[(E)-[(4-phenylazanyl-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate Openeye Name: phenyl 2-amino-3-(2-aminobenzoyl)oxy-4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazono]methyl]benzoate CAS Name: 2-amino-3-[(2-aminophenyl)-oxomethoxy]-4-[(E)-[[4-anilino-6-(4-pyrimidinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzoic acid phenyl ester IUPAC Name: phenyl 2-amino-3-(2-aminobenzoyl)oxy-4-[(E)-[(4-anilino-6-pyrimidin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate Traditional Name: 2-amino-4-[(E)-[[4-anilino-6-(4-pyrimidyl)-s-triazin-2-yl]hydrazono]methyl]-3-anthraniloyloxy-benzoic acid phenyl ester Formula: C34H26N10O4 MolecularWeight: 638.63484

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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)N)OC(=O)C6=CC=CC=C6N

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)N)OC(=O)C6=CC=CC=C6N

InChI

InChI=1S/C34H26N10O4/c35-26-14-8-7-13-24(26)31(45)48-29-21(15-16-25(28(29)36)32(46)47-23-11-5-2-6-12-23)19-39-44-34-42-30(27-17-18-37-20-38-27)41-33(43-34)40-22-9-3-1-4-10-22/h1-20H,35-36H2,(H2,40,41,42,43,44)/b39-19+