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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(cyclopropylamino)purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(cyclopropylamino)purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(cyclopropylamino)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(cyclopropylamino)purin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(cyclopropylamino)purin-9-yl]-1-naphthyl]urea Formula: C30H31N7O2 MolecularWeight: 521.61284

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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=C5NC6CC6

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5NC6CC6

InChI

InChI=1S/C30H31N7O2/c1-30(2,3)18-9-14-25(39-4)23(15-18)36-29(38)35-22-12-13-24(21-8-6-5-7-20(21)22)37-17-33-26-27(34-19-10-11-19)31-16-32-28(26)37/h5-9,12-17,19H,10-11H2,1-4H3,(H,31,32,34)(H2,35,36,38)