1-[3-[6-(3-carbamimidoyl-5-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxyphenyl]urea

Systemtic Name: 1-[3-[6-(3-carbamimidoyl-5-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxyphenyl]urea Openeye Name: [3-[9-benzyl-6-(3-carbamimidoyl-5-phenoxy-phenoxy)-8-methyl-purin-2-yl]oxyphenyl]urea CAS Name: [3-[[6-(3-carbamimidoyl-5-phenoxyphenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]phenyl]urea IUPAC Name: [3-[9-benzyl-6-(3-carbamimidoyl-5-phenoxyphenoxy)-8-methylpurin-2-yl]oxyphenyl]urea Traditional Name: [3-[6-(3-amidino-5-phenoxy-phenoxy)-9-benzyl-8-methyl-purin-2-yl]oxyphenyl]urea Formula: C33H28N8O4 MolecularWeight: 600.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)OC5=CC=CC=C5)C(=N)N)OC6=CC=CC(=C6)NC(=O)N

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)OC5=CC=CC=C5)C(=N)N)OC6=CC=CC(=C6)NC(=O)N

InChI

InChI=1S/C33H28N8O4/c1-20-37-28-30(41(20)19-21-9-4-2-5-10-21)39-33(45-25-14-8-11-23(17-25)38-32(36)42)40-31(28)44-27-16-22(29(34)35)15-26(18-27)43-24-12-6-3-7-13-24/h2-18H,19H2,1H3,(H3,34,35)(H3,36,38,42)