(phenylmethyl) 2-[[6-(3-azanylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-4-carbamimidoyl-benzoate

Systemtic Name: (phenylmethyl) 2-[[6-(3-azanylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-4-carbamimidoyl-benzoate Openeye Name: benzyl 2-[[6-(3-aminophenoxy)-8-methyl-7H-purin-2-yl]oxy]-4-carbamimidoyl-benzoate CAS Name: 2-[[6-(3-aminophenoxy)-8-methyl-7H-purin-2-yl]oxy]-4-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-(3-aminophenoxy)-8-methyl-7H-purin-2-yl]oxy]-4-carbamimidoylbenzoate Traditional Name: 4-amidino-2-[[6-(3-aminophenoxy)-8-methyl-7H-purin-2-yl]oxy]benzoic acid benzyl ester Formula: C27H23N7O4 MolecularWeight: 509.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)N

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)N

InChI

InChI=1S/C27H23N7O4/c1-15-31-22-24(32-15)33-27(34-25(22)37-19-9-5-8-18(28)13-19)38-21-12-17(23(29)30)10-11-20(21)26(35)36-14-16-6-3-2-4-7-16/h2-13H,14,28H2,1H3,(H3,29,30)(H,31,32,33,34)