1-methyl-7-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[6-methyl-2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[6-methyl-2-(4-methylpiperazino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C20H23N5O3/c1-13-11-17(22-20(21-13)25-9-7-23(2)8-10-25)28-16-6-4-5-14-12-15(19(26)27)24(3)18(14)16/h4-6,11-12H,7-10H2,1-3H3,(H,26,27)