3-[9-[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoic acid

Systemtic Name: 3-[9-[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoic acid Openeye Name: 3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-9-(1-carboxy-4-guanidino-butyl)-8-methyl-purin-6-yl]oxybenzoic acid CAS Name: 3-[[2-(5-carbamimidoyl-2-phenoxyphenoxy)-9-[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]-8-methyl-6-purinyl]oxy]benzoic acid IUPAC Name: 3-[2-(5-carbamimidoyl-2-phenoxyphenoxy)-9-[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]-8-methylpurin-6-yl]oxybenzoic acid Traditional Name: 3-[2-(5-amidino-2-phenoxy-phenoxy)-9-(1-carboxy-4-guanidino-butyl)-8-methyl-purin-6-yl]oxybenzoic acid Formula: C32H31N9O7 MolecularWeight: 653.64464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(CCCN=C(N)N)C(=O)O)N=C(N=C2OC3=CC=CC(=C3)C(=O)O)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1C(CCCN=C(N)N)C(=O)O)N=C(N=C2OC3=CC=CC(=C3)C(=O)O)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5

InChI

InChI=1S/C32H31N9O7/c1-17-38-25-27(41(17)22(30(44)45)11-6-14-37-31(35)36)39-32(40-28(25)47-21-10-5-7-19(15-21)29(42)43)48-24-16-18(26(33)34)12-13-23(24)46-20-8-3-2-4-9-20/h2-5,7-10,12-13,15-16,22H,6,11,14H2,1H3,(H3,33,34)(H,42,43)(H,44,45)(H4,35,36,37)