tert-butyl 2-(6-chloranylpyrimidin-4-yl)-5-fluoranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(6-chloranylpyrimidin-4-yl)-5-fluoranyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-5-fluoro-indole-1-carboxylate CAS Name: 2-(6-chloro-4-pyrimidinyl)-5-fluoro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-5-fluoroindole-1-carboxylate Traditional Name: 2-(6-chloropyrimidin-4-yl)-5-fluoro-indole-1-carboxylic acid tert-butyl ester Formula: C17H15ClFN3O2 MolecularWeight: 347.771303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C=C1C3=CC(=NC=N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C=C1C3=CC(=NC=N3)Cl

InChI

InChI=1S/C17H15ClFN3O2/c1-17(2,3)24-16(23)22-13-5-4-11(19)6-10(13)7-14(22)12-8-15(18)21-9-20-12/h4-9H,1-3H3