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

Systemtic Name: 1-methyl-7-[2-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[2-(4-methyl-1-piperazinyl)ethyl]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-[2-(4-methylpiperazino)ethyl]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CN1CCN(CC1)CCC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C21H25N5O3/c1-24-10-12-26(13-11-24)9-7-18-22-8-6-19(23-18)29-17-5-3-4-15-14-16(21(27)28)25(2)20(15)17/h3-6,8,14H,7,9-13H2,1-2H3,(H,27,28)