3-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[ethyl-(5-ethyl-2-pyrimidinyl)amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N(CC)CCCOC2=NC3=CC=CC=C3N=C2C(=O)O

Isomeric SMILES

CCC1=CN=C(N=C1)N(CC)CCCOC2=NC3=CC=CC=C3N=C2C(=O)O

InChI

InChI=1S/C20H23N5O3/c1-3-14-12-21-20(22-13-14)25(4-2)10-7-11-28-18-17(19(26)27)23-15-8-5-6-9-16(15)24-18/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,26,27)