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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(methylamino)purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(methylamino)purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(methylamino)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(methylamino)purin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(methylamino)purin-9-yl]-1-naphthyl]urea Formula: C28H29N7O2 MolecularWeight: 495.57556

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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=C5NC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5NC

InChI

InChI=1S/C28H29N7O2/c1-28(2,3)17-10-13-23(37-5)21(14-17)34-27(36)33-20-11-12-22(19-9-7-6-8-18(19)20)35-16-32-24-25(29-4)30-15-31-26(24)35/h6-16H,1-5H3,(H,29,30,31)(H2,33,34,36)