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

Systemtic Name: (phenylmethyl) 2-[6-(3-azanylphenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-4-carbamimidoyl-benzoate Openeye Name: benzyl 2-[6-(3-aminophenoxy)-9-benzyl-8-methyl-purin-2-yl]oxy-4-carbamimidoyl-benzoate CAS Name: 2-[[6-(3-aminophenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-4-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(3-aminophenoxy)-9-benzyl-8-methylpurin-2-yl]oxy-4-carbamimidoylbenzoate Traditional Name: 4-amidino-2-[6-(3-aminophenoxy)-9-benzyl-8-methyl-purin-2-yl]oxy-benzoic acid benzyl ester Formula: C34H29N7O4 MolecularWeight: 599.63856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)N)OC5=C(C=CC(=C5)C(=N)N)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)N)OC5=C(C=CC(=C5)C(=N)N)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C34H29N7O4/c1-21-38-29-31(41(21)19-22-9-4-2-5-10-22)39-34(40-32(29)44-26-14-8-13-25(35)18-26)45-28-17-24(30(36)37)15-16-27(28)33(42)43-20-23-11-6-3-7-12-23/h2-18H,19-20,35H2,1H3,(H3,36,37)