1-(4-methoxyphenyl)-3-[4-[[2-phenyl-9-(phenylmethyl)purin-6-yl]amino]phenyl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[4-[[2-phenyl-9-(phenylmethyl)purin-6-yl]amino]phenyl]urea Openeye Name: 1-[4-[(9-benzyl-2-phenyl-purin-6-yl)amino]phenyl]-3-(4-methoxyphenyl)urea CAS Name: 1-(4-methoxyphenyl)-3-[4-[[2-phenyl-9-(phenylmethyl)-6-purinyl]amino]phenyl]urea IUPAC Name: 1-[4-[(9-benzyl-2-phenylpurin-6-yl)amino]phenyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[4-[(9-benzyl-2-phenyl-purin-6-yl)amino]phenyl]-3-(4-methoxyphenyl)urea Formula: C32H27N7O2 MolecularWeight: 541.60248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H27N7O2/c1-41-27-18-16-26(17-19-27)36-32(40)35-25-14-12-24(13-15-25)34-30-28-31(38-29(37-30)23-10-6-3-7-11-23)39(21-33-28)20-22-8-4-2-5-9-22/h2-19,21H,20H2,1H3,(H,34,37,38)(H2,35,36,40)