3-[6-methyl-2-[2-(oxan-2-yloxy)ethylamino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 3-[6-methyl-2-[2-(oxan-2-yloxy)ethylamino]pyrimidin-4-yl]benzoic acid Openeye Name: 3-[6-methyl-2-(2-tetrahydropyran-2-yloxyethylamino)pyrimidin-4-yl]benzoic acid CAS Name: 3-[6-methyl-2-[2-(2-oxanyloxy)ethylamino]-4-pyrimidinyl]benzoic acid IUPAC Name: 3-[6-methyl-2-[2-(oxan-2-yloxy)ethylamino]pyrimidin-4-yl]benzoic acid Traditional Name: 3-[6-methyl-2-(2-tetrahydropyran-2-yloxyethylamino)pyrimidin-4-yl]benzoic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC(=CC=C2)C(=O)O)NCCOC3CCCCO3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC(=CC=C2)C(=O)O)NCCOC3CCCCO3

InChI

InChI=1S/C19H23N3O4/c1-13-11-16(14-5-4-6-15(12-14)18(23)24)22-19(21-13)20-8-10-26-17-7-2-3-9-25-17/h4-6,11-12,17H,2-3,7-10H2,1H3,(H,23,24)(H,20,21,22)