2-[6-[3-(aminocarbonylamino)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-carbamimidoyl-benzoic acid

Systemtic Name: 2-[6-[3-(aminocarbonylamino)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-carbamimidoyl-benzoic acid Openeye Name: 2-[9-benzyl-8-methyl-6-(3-ureidophenoxy)purin-2-yl]oxy-4-carbamimidoyl-benzoic acid CAS Name: 4-carbamimidoyl-2-[[6-[3-(carbamoylamino)phenoxy]-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]benzoic acid IUPAC Name: 2-[9-benzyl-6-[3-(carbamoylamino)phenoxy]-8-methylpurin-2-yl]oxy-4-carbamimidoylbenzoic acid Traditional Name: 4-amidino-2-[9-benzyl-8-methyl-6-(3-ureidophenoxy)purin-2-yl]oxy-benzoic acid Formula: C28H24N8O5 MolecularWeight: 552.54076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N8O5/c1-15-32-22-24(36(15)14-16-6-3-2-4-7-16)34-28(41-21-12-17(23(29)30)10-11-20(21)26(37)38)35-25(22)40-19-9-5-8-18(13-19)33-27(31)39/h2-13H,14H2,1H3,(H3,29,30)(H,37,38)(H3,31,33,39)