3-(pyrimidin-2-ylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 3-(pyrimidin-2-ylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 3-(pyrimidin-2-ylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 3-(2-pyrimidinylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 3-(pyrimidin-2-ylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 3-(2-pyrimidylamino)-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C21H22N4O4/c1-27-17-10-14(11-18(28-2)19(17)29-3)13-24-20(26)15-6-4-7-16(12-15)25-21-22-8-5-9-23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)