1-tert-butyl-3-[6-fluoranyl-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-fluoranyl-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-yl]urea Openeye Name: 1-tert-butyl-3-[6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea CAS Name: 1-tert-butyl-3-[6-fluoro-2-[4-(1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinyl]urea IUPAC Name: 1-tert-butyl-3-[6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea Traditional Name: 1-tert-butyl-3-[6-fluoro-2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidin-7-yl]urea Formula: C22H27FN8O MolecularWeight: 438.501183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)NC3=CC=C(C=C3)N4CCNCC4)F

Isomeric SMILES

CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)NC3=CC=C(C=C3)N4CCNCC4)F

InChI

InChI=1S/C22H27FN8O/c1-22(2,3)30-21(32)29-19-17(23)12-14-13-25-20(28-18(14)27-19)26-15-4-6-16(7-5-15)31-10-8-24-9-11-31/h4-7,12-13,24H,8-11H2,1-3H3,(H3,25,26,27,28,29,30,32)