1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea Openeye Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea CAS Name: 1-[4-(6-amino-8-methyl-9-purinyl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea Traditional Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea Formula: C27H26F3N9O MolecularWeight: 549.55025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C=C3)NC(=O)NC4=CC(=NN4C5=CC=C(C=C5)C(F)(F)F)C(C)(C)C)N=CN=C2N

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C=C3)NC(=O)NC4=CC(=NN4C5=CC=C(C=C5)C(F)(F)F)C(C)(C)C)N=CN=C2N

InChI

InChI=1S/C27H26F3N9O/c1-15-34-22-23(31)32-14-33-24(22)38(15)18-11-7-17(8-12-18)35-25(40)36-21-13-20(26(2,3)4)37-39(21)19-9-5-16(6-10-19)27(28,29)30/h5-14H,1-4H3,(H2,31,32,33)(H2,35,36,40)