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

Systemtic Name: 1-methyl-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[(4-methyl-1-piperazinyl)methyl]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-[(4-methylpiperazino)methyl]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CN1CCN(CC1)CC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C20H23N5O3/c1-23-8-10-25(11-9-23)13-17-21-7-6-18(22-17)28-16-5-3-4-14-12-15(20(26)27)24(2)19(14)16/h3-7,12H,8-11,13H2,1-2H3,(H,26,27)