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

Systemtic Name: methyl 2-[6-(4-carbamimidoyl-2-phenoxy-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-purin-9-yl]butanoate Openeye Name: methyl 2-[6-(4-carbamimidoyl-2-phenoxy-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-purin-9-yl]butanoate CAS Name: 2-[6-(4-carbamimidoyl-2-phenoxyphenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-8-ethyl-9-purinyl]butanoic acid methyl ester IUPAC Name: methyl 2-[6-(4-carbamimidoyl-2-phenoxyphenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-ethylpurin-9-yl]butanoate Traditional Name: 2-[6-(4-amidino-2-phenoxy-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-purin-9-yl]butyric acid methyl ester Formula: C34H35N7O6 MolecularWeight: 637.685

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)C(=O)OC)N=C(N=C2OC3=C(C=C(C=C3)C(=N)N)OC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)C(=O)OC)N=C(N=C2OC3=C(C=C(C=C3)C(=N)N)OC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C34H35N7O6/c1-6-24(33(43)44-5)41-27(7-2)37-28-30(41)38-34(46-23-15-11-12-21(18-23)32(42)40(3)4)39-31(28)47-25-17-16-20(29(35)36)19-26(25)45-22-13-9-8-10-14-22/h8-19,24H,6-7H2,1-5H3,(H3,35,36)