7-[2-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NC=CC(=N1)OC2=CC=CC3=C2N(C(=C3)C(=O)O)C)CN(C)C

Isomeric SMILES

CC(C)(CNC1=NC=CC(=N1)OC2=CC=CC3=C2N(C(=C3)C(=O)O)C)CN(C)C

InChI

InChI=1S/C21H27N5O3/c1-21(2,13-25(3)4)12-23-20-22-10-9-17(24-20)29-16-8-6-7-14-11-15(19(27)28)26(5)18(14)16/h6-11H,12-13H2,1-5H3,(H,27,28)(H,22,23,24)