1-methyl-7-[2-[2-(1,2,3-triazol-1-yl)ethylamino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-[2-[2-(1,2,3-triazol-1-yl)ethylamino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[2-(1-triazolyl)ethylamino]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCN4C=CN=N4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCN4C=CN=N4)C(=O)O

InChI

InChI=1S/C18H17N7O3/c1-24-13(17(26)27)11-12-3-2-4-14(16(12)24)28-15-5-6-19-18(22-15)20-7-9-25-10-8-21-23-25/h2-6,8,10-11H,7,9H2,1H3,(H,26,27)(H,19,20,22)