4-[[[5-ethoxy-2-fluoranyl-3-(2-fluoranylethoxy)phenyl]-(3-oxidanylidene-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide

Systemtic Name: 4-[[[5-ethoxy-2-fluoranyl-3-(2-fluoranylethoxy)phenyl]-(3-oxidanylidene-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide Openeye Name: 4-[[[5-ethoxy-2-fluoro-3-(2-fluoroethoxy)phenyl]-(3-oxo-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzamidine CAS Name: 4-[[[5-ethoxy-2-fluoro-3-(2-fluoroethoxy)phenyl]-[3-oxo-2-(2-pyrimidinyl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzenecarboximidamide IUPAC Name: 4-[[[5-ethoxy-2-fluoro-3-(2-fluoroethoxy)phenyl]-(3-oxo-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide Traditional Name: 4-[[[5-ethoxy-2-fluoro-3-(2-fluoroethoxy)phenyl]-[3-keto-2-(2-pyrimidyl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzamidine Formula: C24H24F2N8O3 MolecularWeight: 510.495966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C2=NC(=O)N(N2)C3=NC=CC=N3)NC4=CC=C(C=C4)C(=N)N)F)OCCF

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C2=NC(=O)N(N2)C3=NC=CC=N3)NC4=CC=C(C=C4)C(=N)N)F)OCCF

InChI

InChI=1S/C24H24F2N8O3/c1-2-36-16-12-17(19(26)18(13-16)37-11-8-25)20(31-15-6-4-14(5-7-15)21(27)28)22-32-24(35)34(33-22)23-29-9-3-10-30-23/h3-7,9-10,12-13,20,31H,2,8,11H2,1H3,(H3,27,28)(H,32,33,35)