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

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(5-tert-butyl-2-phenyl-3-pyrazolyl)urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(5-tert-butyl-2-phenylpyrazol-3-yl)urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea Formula: C25H25N9O MolecularWeight: 467.5257

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N9O/c1-25(2,3)19-13-20(34(32-19)18-7-5-4-6-8-18)31-24(35)30-16-9-11-17(12-10-16)33-15-29-21-22(26)27-14-28-23(21)33/h4-15H,1-3H3,(H2,26,27,28)(H2,30,31,35)