ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate Openeye Name: ethyl 4-[4-morpholino-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate CAS Name: 4-[[4-(4-morpholinyl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate Traditional Name: 4-[4-morpholino-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoic acid ethyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=CC(=N2)NC3=CC=NN3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=CC(=N2)NC3=CC=NN3)N4CCOCC4

InChI

InChI=1S/C20H22N6O4/c1-2-29-19(27)14-3-5-15(6-4-14)30-20-23-17(22-16-7-8-21-25-16)13-18(24-20)26-9-11-28-12-10-26/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24,25)