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

Systemtic Name: ethyl 5-azanyl-2-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-amino-2-[2-(2-amino-5-carbamimidoyl-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-oxo-pentanoate CAS Name: 5-amino-2-[2-(2-amino-5-carbamimidoylphenoxy)-6-[2-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-amino-2-[2-(2-amino-5-carbamimidoylphenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-5-oxopentanoate Traditional Name: 2-[2-(5-amidino-2-amino-phenoxy)-6-[2-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-amino-5-keto-valeric acid ethyl ester Formula: C29H33N9O6 MolecularWeight: 603.62902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)N)N1C(=NC2=C1N=C(N=C2OC3=CC=CC=C3C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N)C

Isomeric SMILES

CCOC(=O)C(CCC(=O)N)N1C(=NC2=C1N=C(N=C2OC3=CC=CC=C3C(=O)N(C)C)OC4=C(C=CC(=C4)C(=N)N)N)C

InChI

InChI=1S/C29H33N9O6/c1-5-42-28(41)19(12-13-22(31)39)38-15(2)34-23-25(38)35-29(44-21-14-16(24(32)33)10-11-18(21)30)36-26(23)43-20-9-7-6-8-17(20)27(40)37(3)4/h6-11,14,19H,5,12-13,30H2,1-4H3,(H2,31,39)(H3,32,33)