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

Systemtic Name: methyl 2-[6-(4-carbamimidoyl-2-phenoxy-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]butanoate Openeye Name: methyl 2-[6-(4-carbamimidoyl-2-phenoxy-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]butanoate CAS Name: 2-[6-(4-carbamimidoyl-2-phenoxyphenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]butanoic acid methyl ester IUPAC Name: methyl 2-[6-(4-carbamimidoyl-2-phenoxyphenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]butanoate Traditional Name: 2-[6-(4-amidino-2-phenoxy-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]butyric acid methyl ester Formula: C33H33N7O6 MolecularWeight: 623.65842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33N7O6/c1-6-24(32(42)43-5)40-19(2)36-27-29(40)37-33(45-23-14-10-11-21(17-23)31(41)39(3)4)38-30(27)46-25-16-15-20(28(34)35)18-26(25)44-22-12-8-7-9-13-22/h7-18,24H,6H2,1-5H3,(H3,34,35)