[3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] ethanoate

Systemtic Name: [3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] ethanoate Openeye Name: [3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]phenyl] acetate CAS Name: acetic acid [3-[2-(4-morpholinyl)-6-(3-pyridinylamino)-4-pyrimidinyl]phenyl] ester IUPAC Name: [3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenyl] acetate Traditional Name: acetic acid [3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]phenyl] ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CN=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CN=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-15(27)29-18-6-2-4-16(12-18)19-13-20(23-17-5-3-7-22-14-17)25-21(24-19)26-8-10-28-11-9-26/h2-7,12-14H,8-11H2,1H3,(H,23,24,25)