7-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[3-(dimethylamino)propylamino]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCCN(C)C)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCCN(C)C)C(=O)O

InChI

InChI=1S/C19H23N5O3/c1-23(2)11-5-9-20-19-21-10-8-16(22-19)27-15-7-4-6-13-12-14(18(25)26)24(3)17(13)15/h4,6-8,10,12H,5,9,11H2,1-3H3,(H,25,26)(H,20,21,22)