[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C21H20N6O3/c1-27(21-22-12-5-13-23-21)14-20(29)30-15-19(28)24-16-8-10-18(11-9-16)26-25-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,24,28)