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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC3CC3)N=CN2C4=CC=C(C5=CC=CC=C54)NC(=O)NC6=C(C=CC(=C6)C(C)(C)C)OC

Isomeric SMILES

CC1=NC2=C(C(=N1)NC3CC3)N=CN2C4=CC=C(C5=CC=CC=C54)NC(=O)NC6=C(C=CC(=C6)C(C)(C)C)OC

InChI

InChI=1S/C31H33N7O2/c1-18-33-28(35-20-11-12-20)27-29(34-18)38(17-32-27)25-14-13-23(21-8-6-7-9-22(21)25)36-30(39)37-24-16-19(31(2,3)4)10-15-26(24)40-5/h6-10,13-17,20H,11-12H2,1-5H3,(H,33,34,35)(H2,36,37,39)