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

Systemtic Name: ethyl 5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H18FN5O3 MolecularWeight: 407.397723

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN5O3/c1-2-30-20(29)18-9-12-8-14(6-7-17(12)26-18)25-21-23-11-16(22)19(27-21)24-13-4-3-5-15(28)10-13/h3-11,26,28H,2H2,1H3,(H2,23,24,25,27)