2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butanoic acid Openeye Name: 2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butanoic acid CAS Name: 2-[2-(5-carbamimidoyl-2-methoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-3-methylbutanoic acid IUPAC Name: 2-[2-(5-carbamimidoyl-2-methoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-3-methylbutanoic acid Traditional Name: 2-[2-(5-amidino-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butyric acid Formula: C28H31N7O6 MolecularWeight: 561.58904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(C(C)C)C(=O)O)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC

Isomeric SMILES

CC1=NC2=C(N1C(C(C)C)C(=O)O)N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC

InChI

InChI=1S/C28H31N7O6/c1-14(2)22(27(37)38)35-15(3)31-21-24(35)32-28(41-20-13-16(23(29)30)10-11-19(20)39-6)33-25(21)40-18-9-7-8-17(12-18)26(36)34(4)5/h7-14,22H,1-6H3,(H3,29,30)(H,37,38)