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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(propan-2-ylamino)purin-9-yl]naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(isopropylamino)purin-9-yl]-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(propan-2-ylamino)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(propan-2-ylamino)purin-9-yl]naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[6-(isopropylamino)purin-9-yl]-1-naphthyl]urea Formula: C30H33N7O2 MolecularWeight: 523.62872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC2=C1N=CN2C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=C(C=CC(=C5)C(C)(C)C)OC

Isomeric SMILES

CC(C)NC1=NC=NC2=C1N=CN2C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=C(C=CC(=C5)C(C)(C)C)OC

InChI

InChI=1S/C30H33N7O2/c1-18(2)34-27-26-28(32-16-31-27)37(17-33-26)24-13-12-22(20-9-7-8-10-21(20)24)35-29(38)36-23-15-19(30(3,4)5)11-14-25(23)39-6/h7-18H,1-6H3,(H,31,32,34)(H2,35,36,38)