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

Systemtic Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[2-(1-pyrrolidinyl)ethylamino]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-(2-pyrrolidinoethylamino)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:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCN4CCCC4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCCN4CCCC4)C(=O)O

InChI

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