[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C22H23N3O5/c1-13-9-14(2)24-22(23-13)25-16-7-6-8-17(12-16)30-21(26)15-10-18(27-3)20(29-5)19(11-15)28-4/h6-12H,1-5H3,(H,23,24,25)