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

Systemtic Name: 1-[4-(6-aminopurin-9-yl)naphthalen-1-yl]-3-(5-tert-butyl-2-methoxy-phenyl)urea Openeye Name: 1-[4-(6-aminopurin-9-yl)-1-naphthyl]-3-(5-tert-butyl-2-methoxy-phenyl)urea CAS Name: 1-[4-(6-aminopurin-9-yl)-1-naphthalenyl]-3-(5-tert-butyl-2-methoxyphenyl)urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)naphthalen-1-yl]-3-(5-tert-butyl-2-methoxyphenyl)urea Traditional Name: 1-(4-adenin-9-yl-1-naphthyl)-3-(5-tert-butyl-2-methoxy-phenyl)urea Formula: C27H27N7O2 MolecularWeight: 481.54898

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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=C5N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C27H27N7O2/c1-27(2,3)16-9-12-22(36-4)20(13-16)33-26(35)32-19-10-11-21(18-8-6-5-7-17(18)19)34-15-31-23-24(28)29-14-30-25(23)34/h5-15H,1-4H3,(H2,28,29,30)(H2,32,33,35)