1-(5-tert-butyl-2-methoxy-phenyl)-3-(4-purin-9-ylnaphthalen-1-yl)urea

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-(4-purin-9-ylnaphthalen-1-yl)urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-(4-purin-9-yl-1-naphthyl)urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(9-purinyl)-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-(4-purin-9-ylnaphthalen-1-yl)urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-(4-purin-9-yl-1-naphthyl)urea Formula: C27H26N6O2 MolecularWeight: 466.53434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=CN=CN=C54

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=CN=CN=C54

InChI

InChI=1S/C27H26N6O2/c1-27(2,3)17-9-12-24(35-4)21(13-17)32-26(34)31-20-10-11-23(19-8-6-5-7-18(19)20)33-16-30-22-14-28-15-29-25(22)33/h5-16H,1-4H3,(H2,31,32,34)