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

Systemtic Name: 1-methyl-7-[2-(piperidin-4-ylamino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-(4-piperidylamino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-(4-piperidinylamino)-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-(piperidin-4-ylamino)pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-(4-piperidylamino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NC4CCNCC4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NC4CCNCC4)C(=O)O

InChI

InChI=1S/C19H21N5O3/c1-24-14(18(25)26)11-12-3-2-4-15(17(12)24)27-16-7-10-21-19(23-16)22-13-5-8-20-9-6-13/h2-4,7,10-11,13,20H,5-6,8-9H2,1H3,(H,25,26)(H,21,22,23)