ethanedioic acid; 1-(2-methylphenoxy)-3-(2-pyrimidin-2-yloxyethylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(2-methylphenoxy)-3-(2-pyrimidin-2-yloxyethylamino)propan-2-ol Openeye Name: 1-(2-methylphenoxy)-3-(2-pyrimidin-2-yloxyethylamino)propan-2-ol; oxalic acid CAS Name: 1-(2-methylphenoxy)-3-[2-(2-pyrimidinyloxy)ethylamino]-2-propanol; oxalic acid IUPAC Name: 1-(2-methylphenoxy)-3-(2-pyrimidin-2-yloxyethylamino)propan-2-ol; oxalic acid Traditional Name: 1-(2-methylphenoxy)-3-[2-(2-pyrimidyloxy)ethylamino]propan-2-ol; oxalic acid Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCCOC2=NC=CC=N2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCCOC2=NC=CC=N2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21N3O3.C2H2O4/c1-13-5-2-3-6-15(13)22-12-14(20)11-17-9-10-21-16-18-7-4-8-19-16;3-1(4)2(5)6/h2-8,14,17,20H,9-12H2,1H3;(H,3,4)(H,5,6)