ethyl 5-[[2-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[2-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[2-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[2-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-5-fluoro-4-pyrimidinyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[2-[(2-carbethoxy-1H-indol-5-yl)amino]-5-fluoro-pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H23FN6O4 MolecularWeight: 502.497023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)NC(=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)NC(=C5)C(=O)OCC

InChI

InChI=1S/C26H23FN6O4/c1-3-36-24(34)21-11-14-9-16(5-7-19(14)31-21)29-23-18(27)13-28-26(33-23)30-17-6-8-20-15(10-17)12-22(32-20)25(35)37-4-2/h5-13,31-32H,3-4H2,1-2H3,(H2,28,29,30,33)