7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[2-(1-imidazolyl)ethylamino]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCN4C=CN=C4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C19H18N6O3/c1-24-14(18(26)27)11-13-3-2-4-15(17(13)24)28-16-5-6-21-19(23-16)22-8-10-25-9-7-20-12-25/h2-7,9,11-12H,8,10H2,1H3,(H,26,27)(H,21,22,23)