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

Systemtic Name: 3-[3-[ethyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[ethyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[ethyl-(5-methyl-2-pyrimidinyl)amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[ethyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[ethyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOC1=NC2=CC=CC=C2N=C1C(=O)O)C3=NC=C(C=N3)C

Isomeric SMILES

CCN(CCCOC1=NC2=CC=CC=C2N=C1C(=O)O)C3=NC=C(C=N3)C

InChI

InChI=1S/C19H21N5O3/c1-3-24(19-20-11-13(2)12-21-19)9-6-10-27-17-16(18(25)26)22-14-7-4-5-8-15(14)23-17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,25,26)