1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]urea Formula: C25H24FN9O MolecularWeight: 485.516163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3N=CN=C4N)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3N=CN=C4N)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H24FN9O/c1-25(2,3)19-12-20(35(33-19)18-8-4-15(26)5-9-18)32-24(36)31-16-6-10-17(11-7-16)34-14-30-21-22(27)28-13-29-23(21)34/h4-14H,1-3H3,(H2,27,28,29)(H2,31,32,36)