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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(6-pyrrolidin-1-ylpurin-9-yl)naphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(6-pyrrolidin-1-ylpurin-9-yl)-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(1-pyrrolidinyl)-9-purinyl]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(6-pyrrolidin-1-ylpurin-9-yl)naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(6-pyrrolidinopurin-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=C5N6CCCC6

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4N=CN=C5N6CCCC6

InChI

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