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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(6-morpholin-4-ylpurin-9-yl)naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(6-morpholinopurin-9-yl)-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(4-morpholinyl)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(6-morpholin-4-ylpurin-9-yl)naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(6-morpholinopurin-9-yl)-1-naphthyl]urea Formula: C31H33N7O3 MolecularWeight: 551.63882

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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=C5N6CCOCC6

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5N6CCOCC6

InChI

InChI=1S/C31H33N7O3/c1-31(2,3)20-9-12-26(40-4)24(17-20)36-30(39)35-23-10-11-25(22-8-6-5-7-21(22)23)38-19-34-27-28(32-18-33-29(27)38)37-13-15-41-16-14-37/h5-12,17-19H,13-16H2,1-4H3,(H2,35,36,39)