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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CN1CCN(CC1)C2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C19H21N5O3/c1-22-8-10-24(11-9-22)19-20-7-6-16(21-19)27-15-5-3-4-13-12-14(18(25)26)23(2)17(13)15/h3-7,12H,8-11H2,1-2H3,(H,25,26)