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

Systemtic Name: 7-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-(2-dimethylaminoethylamino)-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-22(2)10-9-20-18-19-8-7-15(21-18)26-14-6-4-5-12-11-13(17(24)25)23(3)16(12)14/h4-8,11H,9-10H2,1-3H3,(H,24,25)(H,19,20,21)