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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(cyclopropylmethylamino)purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(cyclopropylmethylamino)purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(cyclopropylmethylamino)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(cyclopropylmethylamino)purin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(cyclopropylmethylamino)purin-9-yl]-1-naphthyl]urea Formula: C31H33N7O2 MolecularWeight: 535.63942

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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=C5NCC6CC6

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5NCC6CC6

InChI

InChI=1S/C31H33N7O2/c1-31(2,3)20-11-14-26(40-4)24(15-20)37-30(39)36-23-12-13-25(22-8-6-5-7-21(22)23)38-18-35-27-28(32-16-19-9-10-19)33-17-34-29(27)38/h5-8,11-15,17-19H,9-10,16H2,1-4H3,(H,32,33,34)(H2,36,37,39)