1-[2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-7-fluoranyl-3-oxidanylidene-4H-quinoxalin-6-yl]-3-pentyl-urea

Systemtic Name: 1-[2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-7-fluoranyl-3-oxidanylidene-4H-quinoxalin-6-yl]-3-pentyl-urea Openeye Name: 1-[2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-7-fluoro-3-oxo-4H-quinoxalin-6-yl]-3-pentyl-urea CAS Name: 1-[2-(1-butyl-3-pyrrolo[2,3-b]pyridinyl)-7-fluoro-3-oxo-4H-quinoxalin-6-yl]-3-pentylurea IUPAC Name: 1-[2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-7-fluoro-3-oxo-4H-quinoxalin-6-yl]-3-pentylurea Traditional Name: 1-amyl-3-[2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-7-fluoro-3-keto-4H-quinoxalin-6-yl]urea Formula: C25H29FN6O2 MolecularWeight: 464.535163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=C2C(=C1)NC(=O)C(=N2)C3=CN(C4=C3C=CC=N4)CCCC)F

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=C2C(=C1)NC(=O)C(=N2)C3=CN(C4=C3C=CC=N4)CCCC)F

InChI

InChI=1S/C25H29FN6O2/c1-3-5-7-10-28-25(34)31-19-14-21-20(13-18(19)26)29-22(24(33)30-21)17-15-32(12-6-4-2)23-16(17)9-8-11-27-23/h8-9,11,13-15H,3-7,10,12H2,1-2H3,(H,30,33)(H2,28,31,34)