ethyl 2-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-pentanoate Openeye Name: ethyl 2-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-pentanoate CAS Name: 2-[2-(5-carbamimidoyl-2-ethoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-carbamimidoyl-2-ethoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-4-methylpentanoate Traditional Name: 2-[2-(5-amidino-2-ethoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-4-methyl-valeric acid ethyl ester Formula: C32H39N7O6 MolecularWeight: 617.69536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3C(CC(C)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)N=C(N3C(CC(C)C)C(=O)OCC)C

InChI

InChI=1S/C32H39N7O6/c1-8-42-24-14-13-20(27(33)34)17-25(24)45-32-36-28-26(35-19(5)39(28)23(15-18(3)4)31(41)43-9-2)29(37-32)44-22-12-10-11-21(16-22)30(40)38(6)7/h10-14,16-18,23H,8-9,15H2,1-7H3,(H3,33,34)