methyl 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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