2-[6-[3-(aminocarbonylamino)phenoxy]-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-benzoic acid

Systemtic Name: 2-[6-[3-(aminocarbonylamino)phenoxy]-8,9-diethyl-purin-2-yl]oxy-4-carbamimidoyl-benzoic acid Openeye Name: 4-carbamimidoyl-2-[8,9-diethyl-6-(3-ureidophenoxy)purin-2-yl]oxy-benzoic acid CAS Name: 4-carbamimidoyl-2-[[6-[3-(carbamoylamino)phenoxy]-8,9-diethyl-2-purinyl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[6-[3-(carbamoylamino)phenoxy]-8,9-diethylpurin-2-yl]oxybenzoic acid Traditional Name: 4-amidino-2-[8,9-diethyl-6-(3-ureidophenoxy)purin-2-yl]oxy-benzoic acid Formula: C24H24N8O5 MolecularWeight: 504.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N8O5/c1-3-17-29-18-20(32(17)4-2)30-24(37-16-10-12(19(25)26)8-9-15(16)22(33)34)31-21(18)36-14-7-5-6-13(11-14)28-23(27)35/h5-11H,3-4H2,1-2H3,(H3,25,26)(H,33,34)(H3,27,28,35)