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

Systemtic Name: ethyl 2-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-pentanoate Openeye Name: ethyl 2-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-pentanoate CAS Name: 2-[2-(5-carbamimidoyl-2-phenoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-3-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-carbamimidoyl-2-phenoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-3-methylpentanoate Traditional Name: 2-[2-(5-amidino-2-phenoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-valeric acid ethyl ester Formula: C36H39N7O6 MolecularWeight: 665.73816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)C

Isomeric SMILES

CCC(C)C(C(=O)OCC)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5)C

InChI

InChI=1S/C36H39N7O6/c1-7-21(3)30(35(45)46-8-2)43-22(4)39-29-32(43)40-36(41-33(29)48-26-16-12-13-24(19-26)34(44)42(5)6)49-28-20-23(31(37)38)17-18-27(28)47-25-14-10-9-11-15-25/h9-21,30H,7-8H2,1-6H3,(H3,37,38)