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

Systemtic Name: 1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea Openeye Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea CAS Name: 1-[4-(6-amino-8-methyl-9-purinyl)phenyl]-3-(5-tert-butyl-2-phenyl-3-pyrazolyl)urea IUPAC Name: 1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-(5-tert-butyl-2-phenylpyrazol-3-yl)urea Traditional Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea Formula: C26H27N9O MolecularWeight: 481.55228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N9O/c1-16-30-22-23(27)28-15-29-24(22)34(16)18-12-10-17(11-13-18)31-25(36)32-21-14-20(26(2,3)4)33-35(21)19-8-6-5-7-9-19/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)