ethyl 7-[[4-[(3,5-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 7-[[4-[(3,5-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 7-[[4-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate CAS Name: 7-[[4-(3,5-dimethoxyanilino)-5-fluoro-2-pyrimidinyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[[4-(3,5-dimethoxyanilino)-5-fluoropyrimidin-2-yl]amino]-1H-indole-2-carboxylate Traditional Name: 7-[[4-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H22FN5O4 MolecularWeight: 451.450283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C(=CC=C2)NC3=NC=C(C(=N3)NC4=CC(=CC(=C4)OC)OC)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C(=CC=C2)NC3=NC=C(C(=N3)NC4=CC(=CC(=C4)OC)OC)F

InChI

InChI=1S/C23H22FN5O4/c1-4-33-22(30)19-8-13-6-5-7-18(20(13)27-19)28-23-25-12-17(24)21(29-23)26-14-9-15(31-2)11-16(10-14)32-3/h5-12,27H,4H2,1-3H3,(H2,25,26,28,29)