1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(ethylamino)-2-methyl-purin-9-yl]naphthalen-1-yl]urea

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(ethylamino)-2-methyl-purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(ethylamino)-2-methyl-purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(ethylamino)-2-methyl-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(ethylamino)-2-methylpurin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(ethylamino)-2-methyl-purin-9-yl]-1-naphthyl]urea Formula: C30H33N7O2 MolecularWeight: 523.62872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=CN2C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=C(C=CC(=C5)C(C)(C)C)OC)C

Isomeric SMILES

CCNC1=NC(=NC2=C1N=CN2C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=C(C=CC(=C5)C(C)(C)C)OC)C

InChI

InChI=1S/C30H33N7O2/c1-7-31-27-26-28(34-18(2)33-27)37(17-32-26)24-14-13-22(20-10-8-9-11-21(20)24)35-29(38)36-23-16-19(30(3,4)5)12-15-25(23)39-6/h8-17H,7H2,1-6H3,(H,31,33,34)(H2,35,36,38)