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

Systemtic Name: 1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-isopropylphenyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-amino-8-methyl-9-purinyl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]urea Traditional Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-(5-tert-butyl-2-p-cumenyl-pyrazol-3-yl)urea Formula: C29H33N9O MolecularWeight: 523.63202

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=C(C=C5)C(C)C)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(C)C)C(C)(C)C)N=CN=C2N

InChI

InChI=1S/C29H33N9O/c1-17(2)19-7-11-22(12-8-19)38-24(15-23(36-38)29(4,5)6)35-28(39)34-20-9-13-21(14-10-20)37-18(3)33-25-26(30)31-16-32-27(25)37/h7-17H,1-6H3,(H2,30,31,32)(H2,34,35,39)