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

Systemtic Name: 1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-amino-8-methyl-9-purinyl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea Traditional Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea Formula: C26H26FN9O MolecularWeight: 499.542743

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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)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)F)C(C)(C)C)N=CN=C2N

InChI

InChI=1S/C26H26FN9O/c1-15-31-22-23(28)29-14-30-24(22)35(15)18-11-7-17(8-12-18)32-25(37)33-21-13-20(26(2,3)4)34-36(21)19-9-5-16(27)6-10-19/h5-14H,1-4H3,(H2,28,29,30)(H2,32,33,37)