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

Systemtic Name: ethyl 5-azanyl-2-[2-[2-azanyl-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-amino-2-[2-[2-amino-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-9-yl]-5-oxo-pentanoate CAS Name: 5-amino-2-[2-[2-amino-3-(3-carbamimidoylphenoxy)-6-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-purinyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-amino-2-[2-[2-amino-3-(3-carbamimidoylphenoxy)-6-(dimethylcarbamoyl)phenoxy]-8-methylpurin-9-yl]-5-oxopentanoate Traditional Name: 2-[2-[3-(3-amidinophenoxy)-2-amino-6-(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=CN=C(N=C21)OC3=C(C=CC(=C3N)OC4=CC=CC(=C4)C(=N)N)C(=O)N(C)C)C

Isomeric SMILES

CCOC(=O)C(CCC(=O)N)N1C(=NC2=CN=C(N=C21)OC3=C(C=CC(=C3N)OC4=CC=CC(=C4)C(=N)N)C(=O)N(C)C)C

InChI

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