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

Systemtic Name: 1-[4-[2,6-bis(oxidanylidene)-3H-purin-9-yl]naphthalen-1-yl]-3-(5-tert-butyl-2-methoxy-phenyl)urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(2,6-dioxo-3H-purin-9-yl)-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2,6-dioxo-3H-purin-9-yl)-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2,6-dioxo-3H-purin-9-yl)naphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(2,6-diketo-3H-purin-9-yl)-1-naphthyl]urea Formula: C27H26N6O4 MolecularWeight: 498.53314

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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=C4NC(=O)NC5=O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)N4C=NC5=C4NC(=O)NC5=O

InChI

InChI=1S/C27H26N6O4/c1-27(2,3)15-9-12-21(37-4)19(13-15)30-25(35)29-18-10-11-20(17-8-6-5-7-16(17)18)33-14-28-22-23(33)31-26(36)32-24(22)34/h5-14H,1-4H3,(H2,29,30,35)(H2,31,32,34,36)