6-[2-[[4-(4-cyanophenyl)-5-ethoxycarbonyl-pyrimidin-2-yl]amino]ethylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[[4-(4-cyanophenyl)-5-ethoxycarbonyl-pyrimidin-2-yl]amino]ethylamino]pyridine-3-carboxylic acid Openeye Name: 6-[2-[[4-(4-cyanophenyl)-5-ethoxycarbonyl-pyrimidin-2-yl]amino]ethylamino]pyridine-3-carboxylic acid CAS Name: 6-[2-[[4-(4-cyanophenyl)-5-ethoxycarbonyl-2-pyrimidinyl]amino]ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[[4-(4-cyanophenyl)-5-ethoxycarbonylpyrimidin-2-yl]amino]ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[2-[[5-carbethoxy-4-(4-cyanophenyl)pyrimidin-2-yl]amino]ethylamino]nicotinic acid Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20N6O4/c1-2-32-21(31)17-13-27-22(28-19(17)15-5-3-14(11-23)4-6-15)25-10-9-24-18-8-7-16(12-26-18)20(29)30/h3-8,12-13H,2,9-10H2,1H3,(H,24,26)(H,29,30)(H,25,27,28)