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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(2-methoxyethylamino)purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(2-methoxyethylamino)purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(2-methoxyethylamino)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(2-methoxyethylamino)purin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(2-methoxyethylamino)purin-9-yl]-1-naphthyl]urea Formula: C30H33N7O3 MolecularWeight: 539.62812

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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=C4N=CN=C5NCCOC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5NCCOC

InChI

InChI=1S/C30H33N7O3/c1-30(2,3)19-10-13-25(40-5)23(16-19)36-29(38)35-22-11-12-24(21-9-7-6-8-20(21)22)37-18-34-26-27(31-14-15-39-4)32-17-33-28(26)37/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33)(H2,35,36,38)