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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(oxan-4-ylamino)purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(tetrahydropyran-4-ylamino)purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(4-oxanylamino)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(oxan-4-ylamino)purin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(tetrahydropyran-4-ylamino)purin-9-yl]-1-naphthyl]urea Formula: C32H35N7O3 MolecularWeight: 565.6654

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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=C5NC6CCOCC6

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5NC6CCOCC6

InChI

InChI=1S/C32H35N7O3/c1-32(2,3)20-9-12-27(41-4)25(17-20)38-31(40)37-24-10-11-26(23-8-6-5-7-22(23)24)39-19-35-28-29(33-18-34-30(28)39)36-21-13-15-42-16-14-21/h5-12,17-19,21H,13-16H2,1-4H3,(H,33,34,36)(H2,37,38,40)