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

Systemtic Name: ethyl 2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butanoate Openeye Name: ethyl 2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butanoate CAS Name: 2-[2-(5-carbamimidoyl-2-methoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-carbamimidoyl-2-methoxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-3-methylbutanoate Traditional Name: 2-[2-(5-amidino-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-3-methyl-butyric acid ethyl ester Formula: C30H35N7O6 MolecularWeight: 589.6422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC)C

Isomeric SMILES

CCOC(=O)C(C(C)C)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)OC)C

InChI

InChI=1S/C30H35N7O6/c1-8-41-29(39)24(16(2)3)37-17(4)33-23-26(37)34-30(43-22-15-18(25(31)32)12-13-21(22)40-7)35-27(23)42-20-11-9-10-19(14-20)28(38)36(5)6/h9-16,24H,8H2,1-7H3,(H3,31,32)