3-[3-[(4-methylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[3-[(4-methylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[(5-methylpyrimidin-2-yl)-(p-tolylmethyl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[(4-methylphenyl)methyl-(5-methyl-2-pyrimidinyl)amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[(4-methylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[(4-methylbenzyl)-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)C4=NC=C(C=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)C4=NC=C(C=N4)C

InChI

InChI=1S/C25H25N5O3/c1-17-8-10-19(11-9-17)16-30(25-26-14-18(2)15-27-25)12-5-13-33-23-22(24(31)32)28-20-6-3-4-7-21(20)29-23/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3,(H,31,32)