(phenylmethyl) 2-[6-(3-azanylphenoxy)-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-benzoate

Systemtic Name: (phenylmethyl) 2-[6-(3-azanylphenoxy)-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-benzoate Openeye Name: benzyl 2-[6-(3-aminophenoxy)-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-benzoate CAS Name: 2-[[6-(3-aminophenoxy)-8,9-diethyl-2-purinyl]oxy]-4-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(3-aminophenoxy)-8,9-diethylpurin-2-yl]oxy-4-carbamimidoylbenzoate Traditional Name: 4-amidino-2-[6-(3-aminophenoxy)-8,9-diethyl-purin-2-yl]oxy-benzoic acid benzyl ester Formula: C30H29N7O4 MolecularWeight: 551.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)N)OC4=C(C=CC(=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)N)OC4=C(C=CC(=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H29N7O4/c1-3-24-34-25-27(37(24)4-2)35-30(36-28(25)40-21-12-8-11-20(31)16-21)41-23-15-19(26(32)33)13-14-22(23)29(38)39-17-18-9-6-5-7-10-18/h5-16H,3-4,17,31H2,1-2H3,(H3,32,33)